 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_M11-augccpVDZr.in
 Output=19_methylcyclohexanone_Boat_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/19_methylcyclohexanone_Boat_STD/Gau-9841.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9843.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Boat_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:54:48 2021, MaxMem= 10737418240 cpu:              27.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  8.70D-06  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 19:54:48 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:54:49 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:54:50 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.012378010621    
 DIIS: error= 3.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.012378010621     IErMin= 1 ErrMin= 3.40D-03
 ErrMax= 3.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.50D-03 BMatP= 9.50D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.37D-02 MaxDP=1.10D+00              OVMax= 1.86D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.32D-02    CP:  1.15D+00
 E= -349.021794512416     Delta-E=       -0.009416501795 Rises=F Damp=F
 DIIS: error= 7.74D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.021794512416     IErMin= 2 ErrMin= 7.74D-04
 ErrMax= 7.74D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-04 BMatP= 9.50D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.74D-03
 Coeff-Com:  0.149D-01 0.985D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.147D-01 0.985D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=2.40D-03 MaxDP=1.70D-01 DE=-9.42D-03 OVMax= 9.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-03    CP:  1.18D+00  1.15D+00
 E= -349.021865712318     Delta-E=       -0.000071199901 Rises=F Damp=F
 DIIS: error= 7.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.021865712318     IErMin= 2 ErrMin= 7.74D-04
 ErrMax= 7.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-04 BMatP= 5.20D-04
 IDIUse=3 WtCom= 2.62D-01 WtEn= 7.38D-01
 Coeff-Com: -0.495D-01 0.558D+00 0.491D+00
 Coeff-En:   0.000D+00 0.454D+00 0.546D+00
 Coeff:     -0.130D-01 0.481D+00 0.532D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.22D-04 MaxDP=2.13D-02 DE=-7.12D-05 OVMax= 5.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.85D-04    CP:  1.18D+00  1.17D+00  1.07D+00
 E= -349.022312556193     Delta-E=       -0.000446843875 Rises=F Damp=F
 DIIS: error= 2.22D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.022312556193     IErMin= 4 ErrMin= 2.22D-04
 ErrMax= 2.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-05 BMatP= 5.20D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.22D-03
 Coeff-Com: -0.617D-02-0.495D-01 0.176D+00 0.880D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.616D-02-0.494D-01 0.175D+00 0.880D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.17D-04 MaxDP=1.16D-02 DE=-4.47D-04 OVMax= 1.40D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.52D-05    CP:  1.18D+00  1.18D+00  1.20D+00  1.08D+00
 E= -349.022345272631     Delta-E=       -0.000032716438 Rises=F Damp=F
 DIIS: error= 2.88D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.022345272631     IErMin= 5 ErrMin= 2.88D-05
 ErrMax= 2.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.18D-07 BMatP= 4.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-02-0.587D-01 0.114D-01 0.264D+00 0.781D+00
 Coeff:      0.202D-02-0.587D-01 0.114D-01 0.264D+00 0.781D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.72D-05 MaxDP=2.83D-03 DE=-3.27D-05 OVMax= 2.50D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.18D-05    CP:  1.18D+00  1.18D+00  1.22D+00  1.11D+00  1.21D+00
 E= -349.022346209638     Delta-E=       -0.000000937007 Rises=F Damp=F
 DIIS: error= 6.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.022346209638     IErMin= 6 ErrMin= 6.73D-06
 ErrMax= 6.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-08 BMatP= 8.18D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.793D-03-0.691D-02-0.100D-01-0.889D-02 0.153D+00 0.872D+00
 Coeff:      0.793D-03-0.691D-02-0.100D-01-0.889D-02 0.153D+00 0.872D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=7.56D-06 MaxDP=5.31D-04 DE=-9.37D-07 OVMax= 7.59D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.00D-06    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.27D+00
                    CP:  1.05D+00
 E= -349.022346267956     Delta-E=       -0.000000058319 Rises=F Damp=F
 DIIS: error= 1.74D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.022346267956     IErMin= 7 ErrMin= 1.74D-06
 ErrMax= 1.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-09 BMatP= 3.69D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.655D-06 0.285D-02-0.291D-02-0.219D-01-0.310D-01 0.169D+00
 Coeff-Com:  0.884D+00
 Coeff:     -0.655D-06 0.285D-02-0.291D-02-0.219D-01-0.310D-01 0.169D+00
 Coeff:      0.884D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.55D-06 MaxDP=3.50D-04 DE=-5.83D-08 OVMax= 2.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.12D+00
 E= -349.022346273210     Delta-E=       -0.000000005253 Rises=F Damp=F
 DIIS: error= 5.35D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.022346273210     IErMin= 8 ErrMin= 5.35D-07
 ErrMax= 5.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-10 BMatP= 3.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.624D-04 0.139D-02 0.492D-04-0.559D-02-0.228D-01-0.279D-01
 Coeff-Com:  0.247D+00 0.808D+00
 Coeff:     -0.624D-04 0.139D-02 0.492D-04-0.559D-02-0.228D-01-0.279D-01
 Coeff:      0.247D+00 0.808D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=6.09D-07 MaxDP=1.99D-05 DE=-5.25D-09 OVMax= 7.60D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.51D-07    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.19D+00  1.12D+00
 E= -349.022346273737     Delta-E=       -0.000000000527 Rises=F Damp=F
 DIIS: error= 1.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.022346273737     IErMin= 9 ErrMin= 1.52D-07
 ErrMax= 1.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-11 BMatP= 3.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.122D-04 0.289D-03 0.866D-03-0.127D-02-0.177D-01
 Coeff-Com: -0.295D-01 0.118D+00 0.929D+00
 Coeff:     -0.124D-04 0.122D-04 0.289D-03 0.866D-03-0.127D-02-0.177D-01
 Coeff:     -0.295D-01 0.118D+00 0.929D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.96D-07 MaxDP=6.84D-06 DE=-5.27D-10 OVMax= 3.99D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.20D+00  1.21D+00  1.15D+00
 E= -349.022346273799     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 4.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.022346273799     IErMin=10 ErrMin= 4.65D-08
 ErrMax= 4.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-12 BMatP= 1.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.403D-05-0.118D-03 0.290D-04 0.579D-03 0.171D-02 0.309D-03
 Coeff-Com: -0.240D-01-0.580D-01 0.103D+00 0.976D+00
 Coeff:      0.403D-05-0.118D-03 0.290D-04 0.579D-03 0.171D-02 0.309D-03
 Coeff:     -0.240D-01-0.580D-01 0.103D+00 0.976D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=6.18D-08 MaxDP=3.70D-06 DE=-6.21D-11 OVMax= 2.34D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.29D-08    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.20D+00  1.22D+00  1.23D+00  1.19D+00
 E= -349.022346273807     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -349.022346273807     IErMin=11 ErrMin= 2.82D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-13 BMatP= 2.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05 0.128D-05-0.341D-04-0.986D-04 0.105D-03 0.192D-02
 Coeff-Com:  0.381D-02-0.123D-01-0.106D+00 0.493D-03 0.111D+01
 Coeff:      0.122D-05 0.128D-05-0.341D-04-0.986D-04 0.105D-03 0.192D-02
 Coeff:      0.381D-02-0.123D-01-0.106D+00 0.493D-03 0.111D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.43D-08 MaxDP=1.82D-06 DE=-8.41D-12 OVMax= 1.50D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.20D+00  1.22D+00  1.23D+00  1.28D+00
                    CP:  1.34D+00
 E= -349.022346273776     Delta-E=        0.000000000031 Rises=F Damp=F
 DIIS: error= 1.46D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -349.022346273807     IErMin=12 ErrMin= 1.46D-08
 ErrMax= 1.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-14 BMatP= 3.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.992D-06 0.286D-04-0.725D-05-0.140D-03-0.403D-03-0.645D-04
 Coeff-Com:  0.584D-02 0.137D-01-0.253D-01-0.233D+00-0.674D-02 0.125D+01
 Coeff:     -0.992D-06 0.286D-04-0.725D-05-0.140D-03-0.403D-03-0.645D-04
 Coeff:      0.584D-02 0.137D-01-0.253D-01-0.233D+00-0.674D-02 0.125D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=8.99D-07 DE= 3.13D-11 OVMax= 1.04D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.85D-09    CP:  1.18D+00  1.18D+00  1.22D+00  1.12D+00  1.28D+00
                    CP:  1.09D+00  1.20D+00  1.22D+00  1.23D+00  1.30D+00
                    CP:  1.57D+00  1.49D+00
 E= -349.022346273790     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 3.95D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -349.022346273807     IErMin=13 ErrMin= 3.95D-09
 ErrMax= 3.95D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-14 BMatP= 8.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-06 0.313D-05 0.457D-05-0.391D-05-0.651D-04-0.309D-03
 Coeff-Com:  0.120D-03 0.337D-02 0.143D-01-0.296D-01-0.177D+00 0.171D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.283D-06 0.313D-05 0.457D-05-0.391D-05-0.651D-04-0.309D-03
 Coeff:      0.120D-03 0.337D-02 0.143D-01-0.296D-01-0.177D+00 0.171D+00
 Coeff:      0.102D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.07D-09 MaxDP=4.15D-07 DE=-1.43D-11 OVMax= 3.10D-07

 SCF Done:  E(RM11) =  -349.022346274     A.U. after   13 cycles
            NFock= 13  Conv=0.51D-08     -V/T= 2.0069
 KE= 3.466371950763D+02 PE=-1.593473979268D+03 EE= 5.065230028072D+02
 Leave Link  502 at Thu Jul  8 19:56:57 2021, MaxMem= 10737418240 cpu:            2033.3 elap:             127.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.72085470D+02

 Leave Link  801 at Thu Jul  8 19:56:58 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 1.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.12D-01 6.54D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 1.58D-02 2.22D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.61D-03 7.06D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 6.38D-05 1.13D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 1.56D-06 2.44D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 4.88D-08 3.69D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 1.29D-09 5.38D-06.
     11 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 2.97D-11 7.52D-07.
     10 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 4.70D-13 9.50D-08.
      4 vectors produced by pass 10 Test12= 1.35D-13 8.33D-09 XBig12= 7.74D-15 1.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.928445D+02
      2  0.281720D+00  0.917387D+02
      3 -0.194765D+01  0.717210D+00  0.768357D+02
 Isotropic polarizability for W=    0.093368       87.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.445934D+02 -0.208295D+02 -0.198996D+02
      2   0.264653D+02  0.280029D+02  0.236972D+01
      3   0.181281D+02 -0.717339D+01  0.175298D+02
      4   0.794211D+01 -0.730612D+01  0.141307D+02
      5  -0.173271D+02  0.102857D+02 -0.268627D+02
      6   0.102854D+02 -0.444366D+01  0.176383D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.370651D+01  0.260185D+01 -0.857794D+01
      2  -0.137877D+02  0.518677D+01 -0.149923D+02
      3   0.162849D+02  0.962154D+01  0.101761D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.384497D+01 -0.681337D+01 -0.248117D+02
      2  -0.257248D+01  0.384534D+01 -0.449909D+02
      3   0.287716D+02  0.337714D+02 -0.374209D-03
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.214095D+01  0.162324D+01 -0.143175D+01
      2   0.162324D+01 -0.383118D+00 -0.597451D-01
      3  -0.143175D+01 -0.597451D-01  0.740037D+00
 OR G Eigenvalues:    -1.3708     0.3076     3.5611  Iso=    -0.8326
 Eigenvectors:
   (1)  -0.501430   0.804903  -0.317333
   (2)   0.235274   0.479805   0.845242
   (3)   0.832595   0.349169  -0.429961
 w=    0.093368 a.u., Optical Rotation Beta=     -0.8326 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -418.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 7.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.44D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 3.47D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 1.53D-02 2.32D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 8.21D-04 4.78D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 9.97D-06 6.15D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 1.39D-07 4.96D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 1.83D-09 6.57D-06.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 1.77D-11 4.48D-07.
     30 vectors produced by pass  7 Test12= 2.25D-14 2.78D-09 XBig12= 1.67D-13 4.26D-08.
      1 vectors produced by pass  8 Test12= 2.25D-14 2.78D-09 XBig12= 1.55D-15 3.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.55D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.55D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.51D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.928445D+02  0.281720D+00 -0.194765D+01
      2   0.281720D+00  0.917387D+02  0.717210D+00
      3  -0.194765D+01  0.717210D+00  0.768357D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.370651D+01  0.260185D+01 -0.857794D+01
      2  -0.137877D+02  0.518677D+01 -0.149923D+02
      3   0.162849D+02  0.962154D+01  0.101761D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.445934D+02 -0.208295D+02 -0.198996D+02
      2   0.264653D+02  0.280029D+02  0.236972D+01
      3   0.181281D+02 -0.717339D+01  0.175298D+02
      4   0.794211D+01 -0.730612D+01  0.141307D+02
      5  -0.173271D+02  0.102857D+02 -0.268627D+02
      6   0.102854D+02 -0.444366D+01  0.176383D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.512041D+01 -0.228456D+01 -0.183657D+01 -0.879070D+00  0.279812D+01
      2  -0.228456D+01  0.187734D+00 -0.356471D+00  0.279812D+01  0.283025D+01
      3  -0.183657D+01 -0.356471D+00 -0.270483D+01 -0.621263D+00 -0.186152D+01
                 6             7             8             9            10 
      1  -0.621263D+00 -0.266674D+01 -0.482826D+00 -0.361875D+01  0.940297D+00
      2  -0.186152D+01 -0.482826D+00 -0.118306D+01 -0.699824D+00  0.297124D+01
      3  -0.531852D-01 -0.361875D+01 -0.699824D+00  0.507395D+01 -0.770608D-01
                11            12            13            14            15 
      1   0.297124D+01 -0.770608D-01  0.812589D+00 -0.453414D+01 -0.478309D+00
      2  -0.346243D+01 -0.136626D+01 -0.453414D+01 -0.865632D+00  0.348804D+01
      3  -0.136626D+01  0.163917D+01 -0.478309D+00  0.348804D+01  0.436278D+00
                16            17            18            19            20 
      1   0.654459D+00 -0.186187D+01  0.884894D+00  0.184138D+01 -0.285567D+01
      2  -0.186187D+01  0.263012D+01  0.165018D+01 -0.285567D+01  0.336482D+01
      3   0.884894D+00  0.165018D+01 -0.721077D+00  0.177195D+01 -0.848549D+00
                21            22            23            24            25 
      1   0.177195D+01 -0.322442D+01  0.323206D+01 -0.140667D+01  0.107311D+01
      2  -0.848549D+00  0.323206D+01  0.576352D+01 -0.212893D+01 -0.757437D+00
      3  -0.227668D+01 -0.140667D+01 -0.212893D+01 -0.188885D+01 -0.166705D+01
                26            27            28            29            30 
      1  -0.757437D+00 -0.166705D+01 -0.211761D+01  0.265409D+01 -0.159577D+01
      2  -0.103384D+01 -0.199566D+01  0.265409D+01 -0.191354D+01  0.320638D+01
      3  -0.199566D+01 -0.353888D+01 -0.159577D+01  0.320638D+01  0.300932D+01
                31            32            33            34            35 
      1   0.386947D+01 -0.219690D+01  0.314084D+01 -0.168078D+01  0.402418D+01
      2  -0.219690D+01 -0.274308D+01  0.103973D+01  0.402418D+01  0.199659D+01
      3   0.314084D+01  0.103973D+01 -0.846075D+00  0.320367D+01 -0.117826D+01
                36            37            38            39            40 
      1   0.320367D+01  0.484811D+01 -0.450340D+01 -0.150708D+01 -0.348983D+01
      2  -0.117826D+01 -0.450340D+01  0.356365D+01  0.844963D+00  0.520649D+01
      3  -0.428883D+01 -0.150708D+01  0.844963D+00  0.363515D+00  0.966890D+00
                41            42            43            44            45 
      1   0.520649D+01  0.966890D+00 -0.185017D+01  0.157261D+01  0.185537D+01
      2  -0.968413D+01 -0.316304D+01  0.157261D+01 -0.286524D+01 -0.378123D+01
      3  -0.316304D+01 -0.164370D+01  0.185537D+01 -0.378123D+01 -0.250089D+01
                46            47            48            49            50 
      1   0.217912D+01  0.713773D+00 -0.151204D+01  0.241213D+00  0.223507D+00
      2   0.713773D+00  0.505932D+00 -0.238552D+00  0.223507D+00  0.471685D-01
      3  -0.151204D+01 -0.238552D+00  0.148773D+01  0.979211D-01 -0.910817D+00
                51            52            53            54            55 
      1   0.979211D-01 -0.252507D+01 -0.236449D+00  0.306042D+01  0.896937D+01
      2  -0.910817D+00 -0.236449D+00 -0.167740D+01  0.105232D+01  0.193356D+01
      3   0.385354D+00  0.306042D+01  0.105232D+01 -0.718377D+01  0.237282D+01
                56            57            58            59            60 
      1   0.193356D+01  0.237282D+01  0.780443D+00  0.101688D+01  0.299414D+00
      2   0.173872D+01  0.387798D+00  0.101688D+01  0.765840D+00  0.840551D+00
      3   0.387798D+00  0.179671D+01  0.299414D+00  0.840551D+00  0.342019D+00
                61            62            63            64            65 
      1   0.395719D+01  0.648325D+00  0.249776D+01  0.684478D+00  0.661399D+00
      2   0.648325D+00  0.147452D+01  0.807312D+00  0.661399D+00 -0.531026D-01
      3   0.249776D+01  0.807312D+00  0.149409D+01  0.109967D+01  0.189392D+00
                66            67            68            69            70 
      1   0.109967D+01  0.158265D+01 -0.200514D+00  0.206791D+00  0.147938D+01
      2   0.189392D+00 -0.200514D+00  0.719165D+00  0.134920D+01  0.225092D+00
      3   0.196233D+01  0.206791D+00  0.134920D+01  0.181000D+01  0.124803D+01
                71            72            73            74            75 
      1   0.225092D+00  0.124803D+01 -0.117093D+01 -0.117096D+01  0.809248D-01
      2   0.121839D+01  0.865330D+00 -0.117096D+01 -0.142825D+01  0.503615D+00
      3   0.865330D+00  0.837311D+01  0.809248D-01  0.503615D+00 -0.233485D+00
                76            77            78            79            80 
      1  -0.165517D+01 -0.154223D+01  0.432445D+00 -0.826326D-01  0.273334D+00
      2  -0.154223D+01 -0.838141D+01  0.238232D+01  0.273334D+00  0.825253D+00
      3   0.432445D+00  0.238232D+01 -0.166046D+01 -0.131669D+00 -0.119025D+01
                81            82            83            84            85 
      1  -0.131669D+00 -0.369927D+01  0.440227D+00  0.264311D+01  0.723588D+00
      2  -0.119025D+01  0.440227D+00 -0.810057D+00 -0.105102D+01 -0.828910D+00
      3   0.139421D+01  0.264311D+01 -0.105102D+01 -0.308244D+01 -0.111956D+01
                86            87            88            89            90 
      1  -0.828910D+00 -0.111956D+01  0.314383D+01 -0.104793D+01 -0.320729D+01
      2   0.147582D+01  0.127603D+01 -0.104793D+01  0.121718D+01  0.129888D+01
      3   0.127603D+01  0.166321D+01 -0.320729D+01  0.129888D+01  0.610253D+01
                91            92            93            94            95 
      1   0.323780D+01 -0.197316D+01  0.138432D+01 -0.316996D+01  0.280892D+01
      2  -0.197316D+01  0.193077D+01 -0.396599D+01  0.280892D+01  0.295969D+01
      3   0.138432D+01 -0.396599D+01 -0.155640D+01 -0.470641D+01 -0.134259D+01
                96            97            98            99           100 
      1  -0.470641D+01  0.614389D+00 -0.479633D+01 -0.114707D+01  0.164291D+01
      2  -0.134259D+01 -0.479633D+01 -0.215918D+01  0.176150D+01 -0.213457D+00
      3   0.109028D+01 -0.114707D+01  0.176150D+01  0.271024D+01 -0.109991D+01
               101           102           103           104           105 
      1  -0.213457D+00 -0.109991D+01 -0.385064D+00 -0.165213D-02  0.640928D+00
      2   0.977236D+00  0.114630D+01 -0.165213D-02 -0.203238D+01 -0.136874D+01
      3   0.114630D+01  0.214847D+01  0.640928D+00 -0.136874D+01 -0.174000D+01
               106           107           108           109           110 
      1  -0.156397D+01  0.525307D+00  0.671667D+00 -0.760261D+01  0.172397D+01
      2   0.525307D+00 -0.164404D+01 -0.205074D+01  0.172397D+01 -0.177412D+01
      3   0.671667D+00 -0.205074D+01 -0.517440D+01 -0.253722D+01  0.960273D+00
               111           112           113           114           115 
      1  -0.253722D+01  0.383497D+01 -0.194916D+01  0.169019D+01 -0.243925D+01
      2   0.960273D+00 -0.194916D+01  0.175973D+01 -0.688223D+00  0.100509D+01
      3  -0.158113D+01  0.169019D+01 -0.688223D+00  0.116044D+01 -0.197653D+01
               116           117           118           119           120 
      1   0.100509D+01 -0.197653D+01 -0.337967D+01 -0.216869D+01  0.680258D+00
      2  -0.500748D+00  0.466406D+00 -0.216869D+01 -0.245042D+01  0.998078D+00
      3   0.466406D+00 -0.196154D+01  0.680258D+00  0.998078D+00 -0.662472D+00
               121           122           123           124           125 
      1  -0.275624D+01 -0.347042D+01  0.111846D+01  0.192265D+01  0.181532D+01
      2  -0.347042D+01 -0.608536D+01  0.154772D+01  0.181532D+01  0.265472D+01
      3   0.111846D+01  0.154772D+01 -0.158629D+01 -0.898183D+00 -0.170485D+01
               126           127           128           129           130 
      1  -0.898183D+00  0.236876D+01  0.218139D+01  0.172383D+01  0.248722D+01
      2  -0.170485D+01  0.218139D+01 -0.285985D+01  0.666700D+00 -0.340988D+01
      3   0.157724D+01  0.172383D+01  0.666700D+00  0.889083D-01  0.813596D+00
               131           132           133           134           135 
      1  -0.340988D+01  0.813596D+00  0.190241D+01  0.964929D+00  0.266461D-01
      2  -0.510792D+01  0.225892D+01  0.964929D+00  0.361240D+01 -0.285863D+01
      3   0.225892D+01 -0.165360D+01  0.266461D-01 -0.285863D+01 -0.681801D+01
               136           137           138           139           140 
      1   0.292723D+00 -0.401171D+01 -0.766665D+00 -0.394025D+01  0.429996D+01
      2  -0.401171D+01  0.415727D+01 -0.113757D+01  0.429996D+01  0.496864D+00
      3  -0.766665D+00 -0.113757D+01 -0.252939D+00 -0.101533D+01 -0.117512D+01
               141           142           143           144           145 
      1  -0.101533D+01 -0.138457D+01 -0.817362D+00 -0.223869D+00  0.119863D+01
      2  -0.117512D+01 -0.817362D+00 -0.266585D+01  0.154816D+01  0.170862D+01
      3   0.198674D+01 -0.223869D+00  0.154816D+01  0.680404D+01 -0.740642D+00
               146           147           148           149           150 
      1   0.170862D+01 -0.740642D+00  0.170221D+01  0.248368D+01 -0.418835D+00
      2   0.224954D+01 -0.423665D+00  0.248368D+01  0.107056D+02 -0.194610D+01
      3  -0.423665D+00  0.239353D+00 -0.418835D+00 -0.194610D+01  0.136844D+01
               151           152           153           154           155 
      1  -0.114446D+01 -0.797565D+00  0.523493D+00 -0.254038D+00  0.153386D+00
      2  -0.797565D+00 -0.343870D+01  0.216123D+01  0.153386D+00  0.275475D+00
      3   0.523493D+00  0.216123D+01 -0.618296D+00  0.898114D+00 -0.110281D+00
               156           157           158           159           160 
      1   0.898114D+00  0.392972D-01  0.427425D+00  0.135658D-01  0.154109D+01
      2  -0.110281D+00  0.427425D+00  0.189922D+01  0.138954D+01  0.965936D-01
      3  -0.100990D+00  0.135658D-01  0.138954D+01  0.131010D+01  0.423955D+00
               161           162           163           164           165 
      1   0.965936D-01  0.423955D+00  0.307801D+00  0.414730D+00 -0.861251D+00
      2   0.209500D+01  0.280747D+01  0.414730D+00 -0.253543D+00  0.133997D+00
      3   0.280747D+01  0.790213D+01 -0.861251D+00  0.133997D+00  0.397814D+00
               166           167           168           169           170 
      1  -0.162829D+00 -0.588848D+00  0.793600D-02 -0.160387D+01 -0.265513D+00
      2  -0.588848D+00 -0.482195D+00 -0.873526D+00 -0.265513D+00 -0.129194D+01
      3   0.793600D-02 -0.873526D+00 -0.105642D+01 -0.689039D+00  0.236453D+00
               171           172           173           174           175 
      1  -0.689039D+00 -0.516685D+01  0.362523D+01 -0.120790D+00  0.358918D+01
      2   0.236453D+00  0.362523D+01 -0.394584D+01  0.460868D+00 -0.377439D+01
      3  -0.809178D+01 -0.120790D+00  0.460868D+00 -0.681948D+00  0.337388D+00
               176           177           178           179           180 
      1  -0.377439D+01  0.337388D+00  0.652994D+00 -0.875002D-01 -0.836444D+00
      2   0.595927D+01 -0.113425D+00 -0.875002D-01  0.735824D+00  0.804208D+00
      3  -0.113425D+00  0.575721D+00 -0.836444D+00  0.804208D+00 -0.534077D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133358D+01  0.521543D+00  0.110847D+01 -0.111034D+01 -0.107860D+01
      2  -0.557171D+01 -0.122361D+01 -0.708642D+01  0.951212D+00 -0.204743D+01
      3   0.473812D+01 -0.929872D+01 -0.363017D+01 -0.441581D+01 -0.352438D+01
                 6             7             8             9            10 
      1  -0.384696D+01  0.146293D+01  0.514087D+01 -0.363532D+01  0.522826D+01
      2   0.213193D+01 -0.126388D+02 -0.315762D+01  0.899781D+01 -0.169737D+02
      3   0.531637D+01 -0.464684D+01  0.220893D+01 -0.540442D+00 -0.718352D+01
                11            12            13            14            15 
      1   0.485527D+01 -0.237366D+01  0.492962D+01 -0.112956D+01  0.676060D+01
      2  -0.920848D+01  0.470990D+01 -0.541199D+01  0.790373D+01 -0.390933D+01
      3  -0.799101D+01  0.371243D+01  0.179390D+01  0.432217D+01 -0.951682D+01
                16            17            18            19            20 
      1   0.130801D+01  0.149979D+02 -0.240392D+00 -0.368980D+01  0.165906D+01
      2  -0.137204D+02 -0.626367D+01  0.114040D+02 -0.437421D+01  0.756495D+01
      3  -0.227053D+01 -0.945285D+01  0.871869D+00  0.223967D+01  0.161939D+01
                21            22            23            24            25 
      1  -0.484734D+01  0.224133D+01  0.518745D+01 -0.855521D+01 -0.470218D+01
      2   0.321682D+01  0.804872D+01 -0.557175D+01  0.524421D+01 -0.950524D+01
      3  -0.258011D+01  0.713099D+01 -0.668894D+01  0.314178D+01 -0.319320D+01
                26            27            28            29            30 
      1  -0.339620D+01 -0.651179D+01  0.271844D+01 -0.870349D+00 -0.453137D-02
      2   0.644820D+01  0.457924D+00  0.875062D+01 -0.864754D+01  0.133755D+01
      3   0.370279D+01  0.183236D+01  0.479309D+01 -0.743468D+01  0.768191D+01
                31            32            33            34            35 
      1  -0.143555D+01  0.103023D+01 -0.158114D+01  0.124244D+01  0.628236D+01
      2  -0.130060D+02 -0.139391D+01  0.179581D+01 -0.117752D+01 -0.147024D+01
      3  -0.249964D+00 -0.468891D+01  0.223251D+01  0.100991D+02  0.205957D+01
                36            37            38            39            40 
      1   0.981976D+00 -0.380939D+01 -0.213290D+01  0.416354D+01  0.725226D+00
      2   0.278675D+01  0.218550D+01  0.480227D+01  0.384648D+01  0.378598D+01
      3  -0.349334D+01  0.392728D+00 -0.210785D+01 -0.713467D+00  0.615445D+01
                41            42            43            44            45 
      1  -0.397981D-01 -0.964530D+01  0.958692D+00 -0.302913D+01 -0.368162D+01
      2  -0.782498D+01 -0.357677D+01  0.438667D+01 -0.112989D+01 -0.864774D+01
      3   0.109357D+02  0.365493D+01  0.450033D+01  0.546256D+01  0.230178D+01
                46            47            48            49            50 
      1   0.142053D+01  0.278353D+00 -0.124319D+01  0.438870D+00 -0.737138D+00
      2  -0.278483D+01 -0.999006D+00  0.430686D+01 -0.540448D-01 -0.485435D+00
      3  -0.593454D-02 -0.140067D+01 -0.688684D+00  0.154964D+01  0.137698D+01
                51            52            53            54            55 
      1  -0.878422D+00 -0.295837D+01  0.160609D+01  0.599787D+01 -0.350706D+01
      2   0.168723D+00  0.472193D+01  0.356445D+01 -0.162973D+02  0.100952D+02
      3   0.109716D+01 -0.610575D+00  0.444048D+01 -0.411946D+00  0.621078D+01
                56            57            58            59            60 
      1  -0.949749D+00 -0.162877D+01  0.282923D+00  0.962017D+00 -0.100272D+01
      2   0.270383D+01  0.643531D+01  0.282328D+00  0.637036D+00  0.375111D+00
      3  -0.303993D+01  0.145603D+01  0.290644D+00 -0.125045D+01 -0.189047D+01
                61            62            63            64            65 
      1  -0.287798D+01 -0.186291D+00 -0.130892D+01  0.134180D+01  0.139103D+01
      2   0.664913D+01  0.327344D+01  0.436303D+01  0.254227D+00 -0.160028D+01
      3   0.360118D+01 -0.296529D+01  0.102403D+01 -0.106221D+00 -0.244698D+01
                66            67            68            69            70 
      1   0.354553D+01 -0.287880D+00  0.362364D+01  0.364033D+01  0.210100D+01
      2  -0.318389D+01 -0.155389D+01 -0.334645D+00 -0.153841D+01 -0.362961D+01
      3  -0.187270D+01 -0.492577D-01  0.735750D-01 -0.826611D+00 -0.963256D+00
                71            72            73            74            75 
      1   0.520803D+01  0.990496D+01 -0.140306D+01 -0.208375D+01 -0.105688D+00
      2  -0.614322D+00 -0.461527D+01  0.921530D+00  0.139264D+01  0.136815D+01
      3  -0.677405D+00 -0.264324D+01  0.133849D+01 -0.363943D+00  0.874681D+00
                76            77            78            79            80 
      1  -0.168865D+01 -0.819276D+01 -0.146509D+01  0.765157D+00  0.115563D+01
      2   0.297626D+01  0.148192D+01 -0.926934D-01 -0.115585D+01 -0.175297D+00
      3   0.534449D+01  0.714513D+00 -0.257830D+00  0.407223D+00  0.328403D+00
                81            82            83            84            85 
      1  -0.190489D+00 -0.939348D-02 -0.150430D+01  0.529810D-02 -0.202657D+00
      2   0.766643D-01 -0.270867D+00  0.124666D+01  0.365743D+01  0.158799D+00
      3   0.122312D+00  0.255030D+00 -0.311905D+01 -0.197279D+01 -0.848333D-01
                86            87            88            89            90 
      1   0.105345D+01 -0.794550D+00  0.304523D+00  0.252189D+01 -0.538778D+00
      2  -0.302079D+00 -0.941051D+00 -0.245222D+01 -0.284101D+00 -0.593709D+01
      3   0.343765D+01  0.220440D+01 -0.232430D+01  0.331403D+01  0.261845D+01
                91            92            93            94            95 
      1   0.203354D+01 -0.637354D+01  0.188409D+01 -0.869563D+01 -0.450224D+01
      2  -0.180060D+01  0.115117D+02  0.800699D+01  0.130376D+02  0.519786D+01
      3  -0.976127D+01  0.419954D+01 -0.131238D+02  0.130910D+02  0.522284D+01
                96            97            98            99           100 
      1   0.214768D+00  0.319839D+01  0.483377D+01  0.178740D+01 -0.831423D+00
      2  -0.642146D+01  0.695002D+00 -0.745370D+01 -0.835975D+01  0.582745D+01
      3   0.140021D+01 -0.139991D+02 -0.579747D+00  0.521117D+01 -0.344686D+01
               101           102           103           104           105 
      1  -0.431623D+00  0.182572D+01  0.640796D+00  0.584144D+00 -0.223867D+01
      2  -0.305358D+01 -0.553765D+01 -0.289881D+01  0.363631D+01  0.501160D+01
      3   0.185789D+01  0.403337D+01  0.214896D+01 -0.464829D+01 -0.428008D+01
               106           107           108           109           110 
      1   0.677465D+00  0.117067D+01 -0.456233D+01 -0.371987D+01  0.302635D+01
      2  -0.589542D+01  0.557596D+01  0.134820D+02  0.201156D+01 -0.143777D+01
      3   0.402220D+01 -0.438438D+01 -0.641632D+01  0.992374D+01 -0.866754D+01
               111           112           113           114           115 
      1  -0.155291D+01  0.247066D+01 -0.239588D+01  0.238450D+00 -0.247387D+01
      2   0.510272D+01 -0.240741D+01  0.858453D+00 -0.301837D+01  0.171513D+01
      3   0.487036D+01 -0.639594D+01  0.753759D+01 -0.281412D+01  0.483122D+01
               116           117           118           119           120 
      1   0.213075D+01 -0.164070D+01  0.181889D+01  0.253668D+01 -0.211422D+01
      2  -0.587405D+00  0.501865D+01 -0.237420D+01 -0.362335D+01  0.314845D+01
      3  -0.307270D+01  0.269845D+01 -0.181687D+01 -0.590416D+01  0.217985D+01
               121           122           123           124           125 
      1   0.312294D+01  0.467741D+01 -0.521178D+01 -0.158295D+01 -0.201406D+01
      2  -0.358644D+01 -0.519887D+01  0.568093D+01  0.123703D+01  0.467727D+01
      3  -0.365399D+01 -0.133075D+02  0.312820D+01  0.199609D+01  0.561278D+01
               126           127           128           129           130 
      1   0.345471D+01 -0.267591D+01 -0.331726D+01 -0.198268D+00 -0.293406D+01
      2  -0.480397D+01  0.144759D+01  0.285437D+01  0.225038D+01  0.915158D+00
      3  -0.371871D+01  0.476354D+01  0.708737D+01  0.339459D+01  0.129920D+02
               131           132           133           134           135 
      1  -0.833846D+01  0.228269D+01  0.120770D+01  0.112102D+02  0.144885D+02
      2   0.238480D+01 -0.563372D+00 -0.426885D+01 -0.206181D+01 -0.413452D+01
      3  -0.527378D+01 -0.534055D+00  0.336680D+01 -0.130778D+01  0.107605D+01
               136           137           138           139           140 
      1   0.403343D+01 -0.100940D+00  0.121551D+01 -0.954930D+00  0.454224D+01
      2   0.199039D+01 -0.204341D+01  0.227891D+01 -0.174636D+01  0.418985D+01
      3  -0.840647D+01 -0.661237D+01 -0.364770D+01 -0.108940D+00  0.909953D+01
               141           142           143           144           145 
      1  -0.540729D+01  0.601456D+00  0.141637D+01 -0.119788D+02  0.197276D+01
      2  -0.251067D+01 -0.325173D+01 -0.279241D+01 -0.555712D+01 -0.310894D+00
      3  -0.246142D+01 -0.362843D+01 -0.409168D+01  0.184854D+01  0.196602D+01
               146           147           148           149           150 
      1   0.183382D+01 -0.130911D+01  0.155205D+01  0.646924D+01 -0.620205D+01
      2  -0.111058D+01  0.113630D+01 -0.425614D-01 -0.224901D+01  0.153667D+01
      3   0.187531D+00 -0.137025D+01  0.523787D+01 -0.258384D+01  0.314110D+00
               151           152           153           154           155 
      1  -0.120606D+01 -0.448073D+01  0.210168D+01 -0.204011D+01  0.206184D+00
      2  -0.930886D+00  0.156602D+01 -0.373253D+00  0.591756D+00 -0.126883D+00
      3  -0.338214D+01  0.101271D+01 -0.202606D+00 -0.109161D+01 -0.131527D+01
               156           157           158           159           160 
      1   0.501445D+00  0.187187D+00 -0.185058D+01 -0.312654D+01 -0.548411D+00
      2   0.775803D+00 -0.500033D+00  0.699172D+00  0.925093D+00 -0.305716D+01
      3   0.197655D+01  0.281729D+00  0.447661D-01 -0.729156D+00  0.418375D+01
               161           162           163           164           165 
      1  -0.182691D+01 -0.172822D+02  0.143952D+01  0.434291D-01 -0.884992D+00
      2   0.162072D+01  0.530896D+01  0.130553D+01  0.411821D-01  0.344218D-02
      3  -0.112457D+01 -0.687570D+00  0.105159D+01 -0.359976D+00 -0.144368D+01
               166           167           168           169           170 
      1   0.760520D+00  0.225323D+01  0.122911D+01  0.106079D+01  0.372654D+01
      2  -0.773579D+00  0.133931D-02  0.125040D+01 -0.399538D+01 -0.228635D+00
      3   0.417181D+00 -0.171804D+01 -0.723502D+00 -0.304598D+01 -0.150259D+01
               171           172           173           174           175 
      1   0.124930D+02 -0.165475D+01  0.141269D+01  0.201308D+01  0.932930D+00
      2   0.766020D+01 -0.189564D+01  0.131391D+01  0.265001D+01  0.182505D+01
      3  -0.772277D+00 -0.599391D+01 -0.760880D+00  0.507409D+00  0.494429D+01
               176           177           178           179           180 
      1  -0.247503D+01 -0.283375D+01  0.160115D+01 -0.596398D+00  0.717467D+00
      2  -0.158236D+01 -0.154836D+01 -0.144290D+00 -0.644371D+00  0.147760D+00
      3   0.105618D+01  0.566578D+00  0.105654D+01  0.101674D+01 -0.718563D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.232155D+02 -0.139393D+02 -0.101000D+02 -0.102190D+01  0.307908D+01
      2   0.146396D+02  0.135592D+02  0.245336D+01  0.392216D+01  0.520965D+01
      3   0.857596D+01  0.380107D+00  0.764662D+01 -0.290026D+01 -0.828872D+01
      4  -0.136568D+02 -0.685205D+01 -0.596959D+01  0.446242D+01  0.838618D+01
      5  -0.119408D+02 -0.261718D+01 -0.127271D+02 -0.821838D+00 -0.297238D+01
      6  -0.342805D+01 -0.123758D-02 -0.145246D+01 -0.128998D+00 -0.116478D+01
                 6             7             8             9            10 
      1  -0.175232D+01 -0.140080D+02 -0.368453D+01 -0.105363D+02  0.153063D+01
      2   0.621818D+00  0.288949D+01 -0.348511D+01  0.172033D+02 -0.883528D+01
      3   0.113050D+01  0.111185D+02  0.716963D+01 -0.666706D+01  0.730465D+01
      4  -0.484804D+01 -0.953799D+01 -0.374970D+01 -0.849862D+01  0.128054D+02
      5   0.821550D-01 -0.170630D+02 -0.496481D+01  0.171019D+02  0.525178D+01
      6   0.943179D+00 -0.577975D+01 -0.789704D+00  0.108572D+02 -0.115822D+01
                11            12            13            14            15 
      1  -0.381924D+00 -0.444442D+01 -0.442787D+01 -0.219477D+01  0.278938D+01
      2   0.777416D+01 -0.302984D+00  0.795559D+01 -0.126323D+02 -0.509776D+01
      3  -0.739224D+01  0.474740D+01 -0.352773D+01  0.148270D+02  0.230839D+01
      4  -0.161017D+02 -0.233192D+01 -0.250040D+02  0.179014D+02  0.937925D+01
      5  -0.177512D+01  0.333769D+00 -0.457116D+01  0.566737D+01  0.271352D+01
      6   0.605341D+01  0.501810D-01  0.197100D+01 -0.132589D+02 -0.920641D+01
                16            17            18            19            20 
      1   0.434865D+01 -0.791455D+00  0.440675D+01 -0.607988D+01  0.582695D+01
      2   0.617173D+00 -0.769372D+01 -0.952637D+01  0.275881D+01 -0.457473D+01
      3  -0.496582D+01  0.848517D+01  0.511962D+01  0.332107D+01 -0.125222D+01
      4  -0.940218D+01  0.157843D+02  0.565426D+01 -0.639585D+01  0.520291D+01
      5   0.450463D+01  0.179140D+01  0.693016D+01 -0.547112D+01  0.185212D+01
      6   0.496635D+00 -0.354654D+01 -0.416230D+01 -0.359262D+01  0.262448D+01
                21            22            23            24            25 
      1   0.529818D+01  0.110064D+02  0.135721D+02  0.514636D+01  0.512691D+00
      2   0.611474D+01 -0.895554D+01 -0.188148D+02  0.100689D+02  0.392774D+01
      3  -0.114129D+02 -0.205089D+01  0.524264D+01 -0.152153D+02 -0.444043D+01
      4   0.632413D+00  0.531872D+01 -0.672116D+01  0.113967D+01  0.217612D+01
      5   0.272291D+01  0.316314D+01  0.289048D+01 -0.247936D+01  0.182775D+01
      6   0.119722D+01  0.427605D+01  0.132495D+02 -0.446071D-01  0.996010D-01
                26            27            28            29            30 
      1   0.549546D+01  0.113525D+02 -0.321926D+00 -0.617394D+01  0.560543D+01
      2   0.632818D+01  0.103758D+02  0.312342D+01 -0.506294D+00 -0.532136D+01
      3  -0.118236D+02 -0.217283D+02 -0.280150D+01  0.668023D+01 -0.284071D+00
      4  -0.584103D+00 -0.275323D+01 -0.141854D+01 -0.154593D+01 -0.101345D+02
      5  -0.243834D+01 -0.883477D+01  0.892408D+01 -0.113846D+02 -0.168390D+02
      6   0.273515D+01  0.938569D+00 -0.457405D+01 -0.347670D+01  0.161533D+01
                31            32            33            34            35 
      1  -0.920940D+01  0.376268D+01 -0.127754D+02 -0.301247D-02 -0.121479D+02
      2   0.194271D+01 -0.106218D+01  0.593043D+01 -0.553934D+01  0.674525D+01
      3   0.726669D+01 -0.270049D+01  0.684492D+01  0.554235D+01  0.540260D+01
      4  -0.576419D+01  0.589520D+01 -0.177656D+01 -0.105530D+02 -0.604345D+01
      5  -0.167078D+02 -0.272578D+01  0.588603D+01 -0.152254D+02  0.531567D+01
      6  -0.214045D+01 -0.231627D+01 -0.478748D+01  0.157826D+01 -0.250075D+01
                36            37            38            39            40 
      1  -0.119187D+02  0.195261D+02 -0.788415D+01 -0.278767D+01 -0.253324D+01
      2   0.843183D+01  0.265155D+00 -0.635617D+01  0.155709D+01 -0.116176D+02
      3   0.348684D+01 -0.197913D+02  0.142403D+02  0.123058D+01  0.141508D+02
      4   0.424338D+01 -0.301257D+02  0.306620D+02  0.636780D+01  0.346411D+02
      5   0.207900D+02 -0.603871D+01  0.377541D+01  0.836812D+01  0.510164D+01
      6  -0.721828D+01  0.567943D+01 -0.390405D+01 -0.531076D+01 -0.498903D+01
                41            42            43            44            45 
      1  -0.118793D+02 -0.582104D+01 -0.487914D+00 -0.477534D+01 -0.651151D+01
      2   0.379500D+02  0.744047D+01 -0.206577D+00  0.758984D+01  0.345993D+01
      3  -0.260707D+02 -0.161943D+01  0.694491D+00 -0.281450D+01  0.305158D+01
      4  -0.461488D+02 -0.104807D+02  0.103362D+02 -0.127837D+02 -0.145629D+02
      5  -0.693775D+01 -0.861548D+01  0.110201D+02 -0.119190D+02 -0.118314D+02
      6   0.163483D+02  0.164829D+02 -0.760429D+01  0.191986D+02  0.130967D+02
                46            47            48            49            50 
      1   0.947577D+01  0.283515D+01 -0.487753D+01 -0.660563D-01 -0.189867D+01
      2  -0.888462D+01 -0.231832D+01  0.561185D+01  0.948199D+00 -0.226107D-01
      3  -0.591146D+00 -0.516830D+00 -0.734318D+00 -0.882143D+00  0.192128D+01
      4   0.566594D+01  0.456674D+01 -0.305550D+01  0.394646D+01  0.136704D+01
      5  -0.851139D+01 -0.163647D+01  0.115223D+02  0.344587D+00 -0.420401D+01
      6  -0.334796D+01 -0.143329D+01  0.245486D+01 -0.241554D+01 -0.221743D+01
                51            52            53            54            55 
      1   0.173412D+01 -0.646066D+01  0.253776D+01 -0.465168D+00  0.505746D+02
      2  -0.210339D+01  0.104810D+02 -0.159455D+00 -0.192358D+02 -0.280399D+02
      3   0.369269D+00 -0.402030D+01 -0.237831D+01  0.197010D+02 -0.225347D+02
      4  -0.458163D+01 -0.414791D+01 -0.633110D+01  0.768563D+01  0.218708D+02
      5   0.881735D+00  0.172844D+02  0.483886D+01 -0.297815D+02  0.162261D+02
      6   0.654168D+01  0.551625D+01  0.594122D+01 -0.130284D+02  0.354909D+01
                56            57            58            59            60 
      1   0.989749D+01  0.124413D+02  0.116489D+01  0.366459D+01  0.115771D+01
      2  -0.461043D+01 -0.743237D+01  0.135092D+01  0.183520D+00  0.398781D+00
      3  -0.528706D+01 -0.500890D+01 -0.251582D+01 -0.384811D+01 -0.155649D+01
      4   0.135025D+02  0.518552D+01  0.105124D+02  0.553275D+01  0.402367D+01
      5   0.288247D+01  0.119025D+02  0.157220D+01  0.424936D+01  0.156771D+01
      6   0.125625D+01  0.310168D+01  0.146391D+01  0.102558D+01  0.258760D+01
                61            62            63            64            65 
      1   0.190331D+02  0.335736D+01  0.965534D+01  0.117055D+01 -0.963356D+00
      2  -0.121373D+02 -0.168634D+00 -0.906411D+01 -0.548128D+01  0.421312D+00
      3  -0.689577D+01 -0.318872D+01 -0.591230D+00  0.431073D+01  0.542044D+00
      4   0.891312D+01  0.708350D+01  0.707167D+01 -0.212742D-01  0.128125D+01
      5   0.160041D+02  0.532930D+01  0.100951D+02  0.501512D+01  0.816561D+00
      6   0.473850D+01  0.323272D+01  0.191733D+01  0.275450D+00  0.935014D+00
                66            67            68            69            70 
      1  -0.482467D+01 -0.109768D+01 -0.444542D+01 -0.485417D+01 -0.263309D+01
      2  -0.513214D+01  0.853380D+00 -0.923145D+00 -0.585258D+01 -0.286948D+01
      3   0.995681D+01  0.244305D+00  0.536856D+01  0.107068D+02  0.550257D+01
      4  -0.678162D+00 -0.734900D+00  0.159605D+01  0.100310D+01 -0.189144D+01
      5   0.859130D+01  0.148855D+01  0.109713D+01  0.158192D+01  0.641827D+01
      6  -0.262550D+01  0.520176D+00  0.855301D+00  0.380695D+01 -0.941942D+00
                71            72            73            74            75 
      1  -0.174412D+01 -0.241687D+02  0.472340D+00 -0.145822D+01  0.541482D+00
      2  -0.358254D+01 -0.204066D+02  0.277202D+01  0.248315D+01 -0.404726D+00
      3   0.532665D+01  0.445753D+02 -0.324436D+01 -0.102493D+01 -0.136757D+00
      4   0.936279D+00  0.720241D+00  0.458111D+01  0.834736D+01 -0.207202D+01
      5   0.823800D+00  0.798160D+01 -0.249397D+01 -0.350238D+01  0.337936D+01
      6   0.465300D+01 -0.710045D+01 -0.267536D+01 -0.334867D+01  0.223269D+01
                76            77            78            79            80 
      1  -0.241729D+01 -0.218249D+02  0.787861D+01 -0.351171D+00  0.308930D+01
      2   0.436764D+01  0.319058D+02 -0.648930D+01  0.868639D-02 -0.929259D+00
      3  -0.195034D+01 -0.100809D+02 -0.138932D+01  0.342484D+00 -0.216004D+01
      4   0.760116D+01  0.839143D+01 -0.224802D+01 -0.960941D+00 -0.126730D+01
      5  -0.247788D+01 -0.287608D+01  0.197898D+01  0.202337D+01  0.221374D+01
      6  -0.366835D+01 -0.207457D+02  0.117782D+02  0.166486D+01  0.863953D+01
                81            82            83            84            85 
      1  -0.579015D+01  0.152907D+02 -0.116908D+01 -0.863998D+01 -0.172510D+01
      2   0.172696D+01 -0.135285D+02  0.184792D+01  0.103689D+02  0.251797D+01
      3   0.406319D+01 -0.176210D+01 -0.678839D+00 -0.172895D+01 -0.792873D+00
      4   0.184744D+01 -0.411716D+01  0.618133D+01  0.551954D+01  0.650832D+01
      5  -0.860364D+00 -0.182199D+02  0.572559D+01  0.194955D+02  0.623507D+01
      6  -0.547273D+01  0.401984D+01 -0.149879D+01 -0.262470D+01 -0.341395D+01
                86            87            88            89            90 
      1  -0.624467D+00  0.126337D+01 -0.737257D+01  0.479284D+00  0.175967D+01
      2  -0.284266D+00 -0.263895D+01  0.114613D+02 -0.243674D+01 -0.170651D+02
      3   0.908734D+00  0.137558D+01 -0.408877D+01  0.195745D+01  0.153054D+02
      4  -0.515970D+01 -0.593453D+01  0.445281D+01 -0.476244D+01 -0.749301D+01
      5  -0.683464D+01 -0.750886D+01  0.200018D+02 -0.656649D+01 -0.296180D+02
      6   0.391578D+01  0.799295D+01 -0.432231D+01  0.555863D+01  0.701931D+01
                91            92            93            94            95 
      1  -0.180143D+02  0.974830D+01 -0.176031D+02  0.165218D+02 -0.103378D+02
      2   0.119129D+02 -0.128800D+02  0.108473D+02 -0.184426D+02 -0.949379D+00
      3   0.610144D+01  0.313171D+01  0.675573D+01  0.192085D+01  0.112871D+02
      4   0.875990D+01 -0.104599D+02  0.171544D+02 -0.132870D+02 -0.162010D+02
      5  -0.970146D+01  0.209553D+02  0.270385D+01  0.265976D+02  0.786002D+01
      6   0.519790D+01  0.731136D+01  0.778179D+01  0.776282D+01  0.599356D+01
                96            97            98            99           100 
      1   0.253875D+02 -0.141303D+02  0.237248D+02  0.115386D+02 -0.638221D+01
      2  -0.800762D+01  0.124011D+02 -0.608138D+01 -0.476999D+01  0.194105D+01
      3  -0.173799D+02  0.172922D+01 -0.176434D+02 -0.676860D+01  0.444116D+01
      4   0.119033D+02  0.218935D+02  0.144969D+02 -0.292123D+01 -0.379125D+01
      5  -0.221899D+01  0.540055D+00 -0.361576D+01 -0.703285D+01  0.265723D+00
      6  -0.466908D+01  0.716241D+01 -0.518537D+01 -0.491691D+01  0.268127D+01
               101           102           103           104           105 
      1   0.359550D+01  0.103989D+02  0.277492D+01 -0.671086D+01 -0.986151D+01
      2  -0.222856D+01 -0.247891D+01 -0.587427D+00  0.597255D+01  0.402363D+01
      3  -0.136694D+01 -0.792002D+01 -0.218749D+01  0.738317D+00  0.583788D+01
      4  -0.344900D+00 -0.147754D+01  0.359918D+01  0.648089D+01  0.266014D+01
      5  -0.315831D+01 -0.331874D+01 -0.202440D+01  0.339485D+01  0.559347D+01
      6  -0.454549D+01 -0.582230D+01 -0.229423D+01  0.705105D+01  0.977051D+01
               106           107           108           109           110 
      1   0.108270D+02 -0.989518D+01 -0.180662D+02  0.523034D+02 -0.125445D+02
      2  -0.433438D+01  0.382740D+01 -0.105006D+01 -0.317891D+02  0.925908D+01
      3  -0.649261D+01  0.606778D+01  0.191163D+02 -0.205143D+02  0.328546D+01
      4   0.764752D+00  0.414013D+01  0.438138D+01 -0.701892D+01  0.115619D+02
      5   0.237273D+01  0.627948D+01  0.155524D+02  0.218570D+02 -0.690939D+01
      6  -0.274927D+01  0.102525D+02  0.157769D+02 -0.106664D+01  0.182679D+01
               111           112           113           114           115 
      1   0.150172D+02 -0.234342D+02  0.108401D+02 -0.805268D+01  0.157247D+02
      2  -0.120826D+02  0.153624D+02 -0.573936D+01  0.613961D+01 -0.128598D+02
      3  -0.293466D+01  0.807180D+01 -0.510070D+01  0.191307D+01 -0.286494D+01
      4  -0.364873D+01  0.117965D+02 -0.103565D+02  0.326200D+01 -0.372130D+01
      5   0.146380D+02 -0.120359D+02  0.528995D+01 -0.817983D+01  0.163570D+02
      6  -0.610908D+00  0.213348D+01 -0.375113D+01  0.253401D+01 -0.900582D+00
               116           117           118           119           120 
      1  -0.539537D+01  0.808211D+01  0.185155D+02  0.962262D+01 -0.284152D+01
      2   0.419533D+01 -0.919602D+01 -0.504305D+01  0.168778D+01 -0.379900D+00
      3   0.120004D+01  0.111392D+01 -0.134725D+02 -0.113104D+02  0.322142D+01
      4   0.239969D+01 -0.229460D+01  0.176767D+02  0.193537D+02 -0.697333D+01
      5  -0.442112D+01  0.132909D+02 -0.380817D+01 -0.593599D+01  0.611612D+01
      6   0.322699D+01  0.364346D+00 -0.244492D+01 -0.154402D+01  0.167553D+01
               121           122           123           124           125 
      1   0.111999D+02  0.557269D+01 -0.379406D+01 -0.800705D+01 -0.461573D+01
      2   0.324364D+01  0.151185D+02 -0.314728D+01  0.131370D+01 -0.361894D+01
      3  -0.144435D+02 -0.206912D+02  0.694134D+01  0.669335D+01  0.823467D+01
      4   0.249127D+02  0.355219D+02 -0.961098D+01 -0.122144D+02 -0.148596D+02
      5  -0.627677D+01 -0.827974D+01  0.870257D+01  0.740719D+01  0.929605D+01
      6  -0.243965D+01 -0.436028D+01  0.688971D+01  0.301631D+01  0.707249D+01
               126           127           128           129           130 
      1   0.859440D+00 -0.196403D+01  0.965941D+01 -0.252446D+00  0.122011D+02
      2   0.123997D+01  0.559180D+01 -0.151191D+02  0.334629D+01 -0.175761D+02
      3  -0.209941D+01 -0.362777D+01  0.545967D+01 -0.309384D+01  0.537501D+01
      4   0.933823D+01  0.353552D+01  0.183803D+00  0.550880D+01  0.153056D+01
      5  -0.972495D+01  0.221179D+01  0.140813D+01 -0.448858D+00 -0.661680D+00
      6  -0.591421D+01  0.658212D+01  0.389131D+01 -0.223209D-01  0.484003D+01
               131           132           133           134           135 
      1   0.161515D+02 -0.519679D+01 -0.697751D-01 -0.457688D+01  0.158848D+02
      2  -0.310215D+02  0.122786D+02  0.341910D+01  0.181256D+02 -0.104175D+02
      3   0.148700D+02 -0.708180D+01 -0.334933D+01 -0.135487D+02 -0.546728D+01
      4  -0.180971D+02  0.608495D+01  0.535226D+01  0.703985D+01 -0.283180D+01
      5   0.435415D+01 -0.763481D+00  0.646587D+00 -0.311356D+01 -0.654882D+01
      6   0.147970D+02 -0.784479D+01 -0.103870D+01 -0.142740D+02 -0.277942D+02
               136           137           138           139           140 
      1   0.232092D+01  0.527995D-01  0.126791D+01 -0.366282D+01 -0.852468D+01
      2  -0.128108D+02  0.120790D+02 -0.304228D+01  0.151309D+02 -0.125662D+01
      3   0.104899D+02 -0.121318D+02  0.177437D+01 -0.114680D+02  0.978130D+01
      4   0.124851D+02 -0.222519D+02 -0.979305D+00 -0.203672D+02  0.149931D+02
      5   0.155248D+01  0.296621D+01  0.208790D+01  0.362060D+01 -0.585616D+00
      6  -0.334926D+01 -0.270478D+01 -0.188544D+01 -0.301930D+01 -0.394846D+01
               141           142           143           144           145 
      1   0.563444D+01  0.162697D+01  0.437815D+01  0.805626D+01 -0.110774D+01
      2  -0.143550D+01 -0.284223D+00 -0.604182D+01  0.119265D+02  0.732884D+01
      3  -0.419894D+01 -0.134275D+01  0.166367D+01 -0.199828D+02 -0.622110D+01
      4  -0.123759D+01 -0.719568D+00  0.341714D+01  0.143058D+00  0.877769D+01
      5  -0.322972D+01  0.244419D+01 -0.130401D+01 -0.965588D+01 -0.170323D+01
      6   0.553545D+01  0.201107D+00  0.401111D+01  0.174029D+02 -0.425143D+01
               146           147           148           149           150 
      1  -0.352044D+01  0.944825D-01 -0.520207D+01 -0.338877D+02  0.620417D+01
      2   0.109650D+02 -0.152980D+01  0.129816D+02  0.637028D+02 -0.113110D+02
      3  -0.744456D+01  0.143531D+01 -0.777952D+01 -0.298150D+02  0.510686D+01
      4   0.147666D+02 -0.374114D+01  0.127811D+02  0.245559D+02 -0.436724D+01
      5  -0.194536D+01  0.271994D+01 -0.159577D+01 -0.310095D+01  0.267108D+01
      6  -0.281453D+01  0.203769D+01 -0.302512D+01 -0.147265D+02  0.106143D+02
               151           152           153           154           155 
      1   0.108855D+01  0.108346D+02 -0.789346D+01  0.269628D-02 -0.863942D-01
      2  -0.328789D+01 -0.182482D+02  0.893878D+01 -0.219780D+01  0.888149D+00
      3   0.219934D+01  0.741356D+01 -0.104532D+01  0.219510D+01 -0.801755D+00
      4  -0.543083D+01 -0.757794D+01  0.457150D+01 -0.512754D+00  0.336222D+01
      5   0.264103D+01  0.390344D+01 -0.174630D+01  0.107676D+01  0.163628D+01
      6   0.343294D+01  0.149229D+02 -0.606543D+01  0.409875D+01 -0.876303D+00
               156           157           158           159           160 
      1   0.157379D+01 -0.146230D+01 -0.784996D+01 -0.567334D+01  0.134832D+01
      2  -0.153648D+01  0.226981D+01  0.938131D+01  0.427742D+01 -0.113979D+01
      3  -0.373166D-01 -0.807511D+00 -0.153135D+01  0.139592D+01 -0.208523D+00
      4   0.402788D+01  0.219949D+01  0.306092D+01  0.106133D+01  0.523401D+01
      5   0.607570D+01  0.875466D+00  0.116788D+01  0.113683D+01  0.444596D+01
      6  -0.741878D+00  0.908527D-01  0.712546D+01  0.103513D+02  0.201044D+01
               161           162           163           164           165 
      1  -0.992451D+01 -0.201936D+02 -0.159705D+01 -0.572270D+00  0.182342D+01
      2   0.668965D+01  0.854346D+00 -0.705062D+00 -0.112188D+01  0.554263D-01
      3   0.323486D+01  0.193392D+02  0.230211D+01  0.169415D+01 -0.187885D+01
      4   0.219502D+01  0.354203D+01 -0.486557D+00  0.398349D+01 -0.137382D+01
      5   0.332102D+01  0.890187D+01  0.103627D+01 -0.106770D+00  0.512792D+01
      6   0.174486D+02  0.353086D+02 -0.140965D+01  0.274930D+00  0.217671D+01
               166           167           168           169           170 
      1   0.110189D+01 -0.605024D+00 -0.243458D+00  0.182313D+01  0.356049D+01
      2  -0.288829D+01 -0.111607D+01 -0.388720D+01 -0.264946D+01 -0.354964D+01
      3   0.178641D+01  0.172110D+01  0.413065D+01  0.826329D+00 -0.108508D-01
      4   0.320805D+01 -0.120990D+01  0.142862D+01 -0.266662D+01  0.242334D+01
      5   0.277319D+00  0.126522D+01  0.285957D+01  0.532615D+01 -0.670881D+00
      6   0.331147D+00 -0.112330D+01  0.272635D+01 -0.178606D+01  0.525273D+01
               171           172           173           174           175 
      1  -0.154444D+02  0.112922D+02 -0.216900D+01 -0.287732D+00  0.101233D+00
      2  -0.158968D+02  0.508553D+01 -0.114371D+02  0.586932D+00 -0.124037D+02
      3   0.313412D+02 -0.163777D+02  0.136061D+02 -0.299200D+00  0.123024D+02
      4  -0.255444D+01 -0.283317D+02  0.263393D+02 -0.124361D+01  0.249837D+02
      5   0.123991D+02  0.252405D+01 -0.232924D+01  0.438425D+01 -0.210293D+01
      6  -0.192919D+02 -0.785703D+00  0.197432D+01 -0.322741D+01  0.219751D+01
               176           177           178           179           180 
      1  -0.701834D+01  0.350930D+00 -0.151115D+01 -0.384387D+00 -0.183104D+01
      2   0.267164D+02 -0.252795D+00  0.873799D-01  0.201608D+01  0.124704D+01
      3  -0.196981D+02 -0.981349D-01  0.142377D+01 -0.163170D+01  0.584001D+00
      4  -0.295068D+02  0.119163D+01  0.212345D+01 -0.195679D+01 -0.528900D+01
      5   0.128053D+01 -0.265985D+01  0.386768D+01 -0.381706D+01  0.644187D+00
      6  -0.203162D+01  0.483298D+01 -0.451268D+01  0.588891D+01 -0.999757D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 20:16:22 2021, MaxMem= 10737418240 cpu:           18607.8 elap:            1164.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46184 -10.52666 -10.45216 -10.44386 -10.44269
 Alpha  occ. eigenvalues --  -10.44053 -10.43939 -10.42924  -1.18240  -0.98818
 Alpha  occ. eigenvalues --   -0.91589  -0.86931  -0.82574  -0.75097  -0.71203
 Alpha  occ. eigenvalues --   -0.64078  -0.61778  -0.59262  -0.57810  -0.55104
 Alpha  occ. eigenvalues --   -0.53361  -0.52556  -0.51817  -0.50398  -0.48064
 Alpha  occ. eigenvalues --   -0.46893  -0.45858  -0.43226  -0.42640  -0.42117
 Alpha  occ. eigenvalues --   -0.34920
 Alpha virt. eigenvalues --   -0.01505  -0.00445  -0.00354   0.00313   0.01608
 Alpha virt. eigenvalues --    0.01739   0.02072   0.02299   0.02912   0.04551
 Alpha virt. eigenvalues --    0.04632   0.04893   0.05955   0.06811   0.07809
 Alpha virt. eigenvalues --    0.08200   0.08786   0.10486   0.10648   0.10855
 Alpha virt. eigenvalues --    0.11364   0.11498   0.12012   0.12164   0.12585
 Alpha virt. eigenvalues --    0.12818   0.12937   0.13196   0.13903   0.14702
 Alpha virt. eigenvalues --    0.14997   0.15759   0.16121   0.16725   0.17254
 Alpha virt. eigenvalues --    0.18159   0.19371   0.20289   0.21172   0.21930
 Alpha virt. eigenvalues --    0.23463   0.23686   0.25707   0.26438   0.27391
 Alpha virt. eigenvalues --    0.28281   0.28472   0.29222   0.29322   0.30678
 Alpha virt. eigenvalues --    0.31040   0.31722   0.32258   0.32391   0.33397
 Alpha virt. eigenvalues --    0.34529   0.35163   0.36006   0.36981   0.37066
 Alpha virt. eigenvalues --    0.37650   0.38324   0.39353   0.39632   0.40508
 Alpha virt. eigenvalues --    0.40924   0.41858   0.42060   0.42281   0.43020
 Alpha virt. eigenvalues --    0.43321   0.44031   0.44472   0.45073   0.46120
 Alpha virt. eigenvalues --    0.46561   0.48039   0.48799   0.49071   0.50361
 Alpha virt. eigenvalues --    0.50904   0.51620   0.52211   0.52913   0.53585
 Alpha virt. eigenvalues --    0.53978   0.55370   0.56056   0.56359   0.57563
 Alpha virt. eigenvalues --    0.58171   0.58328   0.60028   0.61124   0.61206
 Alpha virt. eigenvalues --    0.62076   0.62724   0.63324   0.64033   0.64703
 Alpha virt. eigenvalues --    0.65393   0.67593   0.67898   0.68413   0.69059
 Alpha virt. eigenvalues --    0.69361   0.69793   0.70575   0.72513   0.73247
 Alpha virt. eigenvalues --    0.73395   0.74265   0.74645   0.74926   0.75519
 Alpha virt. eigenvalues --    0.75969   0.77355   0.78167   0.78648   0.80179
 Alpha virt. eigenvalues --    0.80539   0.81588   0.83305   0.83397   0.83993
 Alpha virt. eigenvalues --    0.84828   0.85434   0.86455   0.88214   0.88667
 Alpha virt. eigenvalues --    0.90003   0.91269   0.92559   0.94583   0.95012
 Alpha virt. eigenvalues --    0.96331   0.98513   0.99335   1.02484   1.03472
 Alpha virt. eigenvalues --    1.04186   1.07187   1.08636   1.08869   1.11031
 Alpha virt. eigenvalues --    1.14396   1.15375   1.15562   1.17982   1.18734
 Alpha virt. eigenvalues --    1.21411   1.21956   1.24128   1.25100   1.26489
 Alpha virt. eigenvalues --    1.27576   1.29871   1.32447   1.32722   1.34502
 Alpha virt. eigenvalues --    1.38945   1.39251   1.40550   1.41368   1.44133
 Alpha virt. eigenvalues --    1.46849   1.50227   1.52499   1.53647   1.55444
 Alpha virt. eigenvalues --    1.59436   1.61229   1.62488   1.64052   1.65045
 Alpha virt. eigenvalues --    1.65850   1.69305   1.69804   1.70650   1.72528
 Alpha virt. eigenvalues --    1.74019   1.76238   1.77952   1.78217   1.80250
 Alpha virt. eigenvalues --    1.81847   1.83875   1.85201   1.85829   1.87957
 Alpha virt. eigenvalues --    1.88556   1.90710   1.91100   1.92012   1.94907
 Alpha virt. eigenvalues --    1.96157   1.96896   1.98034   2.00014   2.00972
 Alpha virt. eigenvalues --    2.01849   2.02717   2.04735   2.05445   2.07681
 Alpha virt. eigenvalues --    2.08727   2.10570   2.12735   2.14604   2.15565
 Alpha virt. eigenvalues --    2.16612   2.18595   2.20951   2.22255   2.23367
 Alpha virt. eigenvalues --    2.24440   2.25887   2.28254   2.30701   2.31247
 Alpha virt. eigenvalues --    2.35205   2.35620   2.37654   2.39309   2.40255
 Alpha virt. eigenvalues --    2.42959   2.45208   2.47358   2.50379   2.52474
 Alpha virt. eigenvalues --    2.53900   2.55201   2.59199   2.59513   2.61022
 Alpha virt. eigenvalues --    2.61684   2.64077   2.66135   2.70582   2.71225
 Alpha virt. eigenvalues --    2.76005   2.76632   2.80907   2.84242   2.85718
 Alpha virt. eigenvalues --    2.90789   2.93893   2.94323   2.96655   2.99870
 Alpha virt. eigenvalues --    3.08221   3.13687   3.18787   3.45994   3.53418
 Alpha virt. eigenvalues --    3.56203   3.56579   3.62898   3.70150   3.84926
 Alpha virt. eigenvalues --    4.25038
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.147935  -0.347230  -0.334866  -0.349067  -0.211442  -0.104972
     2  C   -0.347230   7.584444  -0.771481  -0.493759   0.662475   0.002246
     3  C   -0.334866  -0.771481   7.885919  -0.562631   0.031984   0.170129
     4  C   -0.349067  -0.493759  -0.562631   9.826200   0.079242  -0.058867
     5  O   -0.211442   0.662475   0.031984   0.079242   7.806666   0.011138
     6  H   -0.104972   0.002246   0.170129  -0.058867   0.011138   1.595486
     7  H    0.056952  -0.000135  -0.056504   0.025603   0.009995  -0.363610
     8  H   -0.195005  -0.462269   0.247535   0.757720   0.034533   0.023042
     9  H    0.222507   0.444153  -0.887851  -0.420461  -0.077057   0.001402
    10  H    0.063570   0.129257   0.468249  -1.896772  -0.001858  -0.012820
    11  C    0.103144   0.032296  -0.186153  -0.041436  -0.005066   0.018421
    12  H    0.004535  -0.029274  -0.087418  -0.191904   0.002295   0.002409
    13  H   -0.013533   0.001083  -0.069322   0.304596  -0.001279   0.000074
    14  H    0.000841   0.064769   0.089069   0.021808  -0.002096   0.000925
    15  C    0.184260  -0.070269  -0.910223   0.081235  -0.047518  -0.058986
    16  C   -0.245216  -0.118245  -0.364918  -1.165512  -0.032860   0.031256
    17  H    0.157728   0.052838   0.015258   0.016231  -0.007886  -0.163917
    18  H    0.165479  -0.159939   0.176917  -0.116559   0.012732   0.103539
    19  H    0.110300  -0.097357   0.169387  -0.314464   0.006959  -0.019696
    20  H    0.034027   0.029342  -0.018755   0.513914  -0.000729   0.017259
               7          8          9         10         11         12
     1  C    0.056952  -0.195005   0.222507   0.063570   0.103144   0.004535
     2  C   -0.000135  -0.462269   0.444153   0.129257   0.032296  -0.029274
     3  C   -0.056504   0.247535  -0.887851   0.468249  -0.186153  -0.087418
     4  C    0.025603   0.757720  -0.420461  -1.896772  -0.041436  -0.191904
     5  O    0.009995   0.034533  -0.077057  -0.001858  -0.005066   0.002295
     6  H   -0.363610   0.023042   0.001402  -0.012820   0.018421   0.002409
     7  H    1.453068  -0.044031   0.021617   0.018392  -0.011574   0.000243
     8  H   -0.044031   1.907348  -0.722954  -0.323849  -0.026728   0.010496
     9  H    0.021617  -0.722954   2.555459   0.170140   0.058030  -0.044313
    10  H    0.018392  -0.323849   0.170140   2.772786  -0.087470   0.077217
    11  C   -0.011574  -0.026728   0.058030  -0.087470   5.184931   0.483874
    12  H    0.000243   0.010496  -0.044313   0.077217   0.483874   1.769908
    13  H   -0.000856  -0.017279   0.032903  -0.024689   0.024089  -0.366434
    14  H   -0.001368   0.039065  -0.055871  -0.137374   0.147773  -0.394056
    15  C    0.161854   0.056494   0.020580  -0.120352  -0.086896   0.020638
    16  C   -0.000679  -0.026600   0.073337   0.428785  -0.242762  -0.058866
    17  H    0.009335   0.007626   0.000020   0.007367   0.000579   0.001134
    18  H   -0.158765  -0.020790   0.011080   0.015365   0.026293  -0.002916
    19  H    0.017642  -0.045623   0.031480   0.194189  -0.114851  -0.057637
    20  H   -0.001143   0.024081  -0.008409  -0.228900   0.124478   0.007089
              13         14         15         16         17         18
     1  C   -0.013533   0.000841   0.184260  -0.245216   0.157728   0.165479
     2  C    0.001083   0.064769  -0.070269  -0.118245   0.052838  -0.159939
     3  C   -0.069322   0.089069  -0.910223  -0.364918   0.015258   0.176917
     4  C    0.304596   0.021808   0.081235  -1.165512   0.016231  -0.116559
     5  O   -0.001279  -0.002096  -0.047518  -0.032860  -0.007886   0.012732
     6  H    0.000074   0.000925  -0.058986   0.031256  -0.163917   0.103539
     7  H   -0.000856  -0.001368   0.161854  -0.000679   0.009335  -0.158765
     8  H   -0.017279   0.039065   0.056494  -0.026600   0.007626  -0.020790
     9  H    0.032903  -0.055871   0.020580   0.073337   0.000020   0.011080
    10  H   -0.024689  -0.137374  -0.120352   0.428785   0.007367   0.015365
    11  C    0.024089   0.147773  -0.086896  -0.242762   0.000579   0.026293
    12  H   -0.366434  -0.394056   0.020638  -0.058866   0.001134  -0.002916
    13  H    1.695743  -0.425652   0.017144   0.036367  -0.000535   0.004514
    14  H   -0.425652   1.849296  -0.011505  -0.007532   0.001767  -0.002624
    15  C    0.017144  -0.011505   6.196127   0.648484  -0.282893  -0.295034
    16  C    0.036367  -0.007532   0.648484   6.781104   0.229608  -0.135647
    17  H   -0.000535   0.001767  -0.282893   0.229608   1.821888  -0.472884
    18  H    0.004514  -0.002624  -0.295034  -0.135647  -0.472884   2.117144
    19  H   -0.049267   0.003140  -0.400583  -0.361144  -0.101271   0.189529
    20  H   -0.004526   0.016326   0.054758  -0.566006  -0.077833  -0.124087
              19         20
     1  C    0.110300   0.034027
     2  C   -0.097357   0.029342
     3  C    0.169387  -0.018755
     4  C   -0.314464   0.513914
     5  O    0.006959  -0.000729
     6  H   -0.019696   0.017259
     7  H    0.017642  -0.001143
     8  H   -0.045623   0.024081
     9  H    0.031480  -0.008409
    10  H    0.194189  -0.228900
    11  C   -0.114851   0.124478
    12  H   -0.057637   0.007089
    13  H   -0.049267  -0.004526
    14  H    0.003140   0.016326
    15  C   -0.400583   0.054758
    16  C   -0.361144  -0.566006
    17  H   -0.101271  -0.077833
    18  H    0.189529  -0.124087
    19  H    2.942327  -0.609110
    20  H   -0.609110   2.145770
 Mulliken charges:
               1
     1  C    0.550052
     2  C   -0.452945
     3  C    0.995675
     4  C   -0.015116
     5  O   -0.270230
     6  H   -0.194457
     7  H   -0.136035
     8  H   -0.222812
     9  H   -0.425792
    10  H   -0.511233
    11  C    0.599028
    12  H   -0.147021
    13  H   -0.143140
    14  H   -0.196702
    15  C    0.842686
    16  C    1.097048
    17  H   -0.214161
    18  H   -0.333347
    19  H   -0.493951
    20  H   -0.327546
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.219560
     2  C   -0.452945
     3  C    0.347071
     4  C   -0.526349
     5  O   -0.270230
    11  C    0.112165
    15  C    0.295177
    16  C    0.275551
 Electronic spatial extent (au):  <R**2>=            981.2174
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7287    Y=              2.7853    Z=              1.2438  Tot=              3.5062
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.4745   YY=            -54.6702   ZZ=            -49.2524
   XY=              5.7135   XZ=              1.5736   YZ=             -2.2522
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3421   YY=             -2.5378   ZZ=              2.8799
   XY=              5.7135   XZ=              1.5736   YZ=             -2.2522
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.6451  YYY=              6.8635  ZZZ=              0.2578  XYY=             -9.0117
  XXY=              9.5804  XXZ=              4.1994  XZZ=              2.3390  YZZ=             -0.5051
  YYZ=              3.0733  XYZ=             -3.1702
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -670.5596 YYYY=           -502.7300 ZZZZ=           -166.1802 XXXY=              8.6524
 XXXZ=              5.9172 YYYX=             12.8424 YYYZ=             -8.1900 ZZZX=             -3.6550
 ZZZY=              2.5621 XXYY=           -206.4665 XXZZ=           -139.8796 YYZZ=           -110.9589
 XXYZ=             -6.7481 YYXZ=              1.4642 ZZXY=              0.0496
 N-N= 3.912914351105D+02 E-N=-1.593473979203D+03  KE= 3.466371950763D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 20:16:23 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9753    0.9738        0.1399    0.1409
 2     -0.9753   -0.9738       -0.3570   -0.3586       -0.5471   -0.5529
 3     -0.1399   -0.1409        7.9949    8.0044        0.3562    0.3586
 4      0.3570    0.3586        0.0000    0.0000       -0.1374   -0.1409
 5     -7.4478   -7.4515        0.1374    0.1409        0.9778    0.9738
 6     -0.3562   -0.3586       -0.9778   -0.9738       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.9215   -2.9215        0.4226    0.4226
 2      1.0758    1.0758        0.0000    0.0000        0.4226    0.4226
 3      1.0758    1.0758       -2.9215   -2.9215        0.0000    0.0000
 4     -2.9215   -2.9215       -1.0758   -1.0758       -1.6586   -1.6586
 5     -0.4226   -0.4226       24.0132   24.0132        1.0758    1.0758
 6    -22.3545  -22.3545        0.4226    0.4226        2.9215    2.9215
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0380    0.0000       -4.0036   -3.8953       -0.3316   -0.5634
 2      3.6749    3.8953        1.3443    1.4344        2.3487    2.2115
 3      0.2974    0.5634      -32.3484  -32.0175       -1.5330   -1.4344
 4     -1.3941   -1.4344       -0.0923    0.0000        0.3661    0.5634
 5     30.1667   29.8060       -0.2556   -0.5634       -3.6583   -3.8953
 6      1.5165    1.4344        3.8813    3.8953       -0.0146    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1199    0.0000        7.9611    7.7070       11.1071   11.1859
 2     -7.8245   -7.7070       -5.6546   -5.3708      -17.4858  -17.7866
 3    -11.4593  -11.1859        9.4822    9.4482        6.1272    5.3708
 4      5.2986    5.3708        0.0958    0.0000      -10.8306  -11.1859
 5      8.2552    8.3383       11.2593   11.1859        7.6620    7.7070
 6     -5.4224   -5.3708       -7.7031   -7.7070       -0.1533    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.5426    8.3371        9.8134    9.6962      -12.7908  -12.8834
 2     19.8961   19.5566       13.7187   13.6561      -12.7459  -12.8834
 3     19.9754   19.5566        9.6495    9.6962      -22.0661  -22.2693
 4     -4.4626   -3.9600      -11.0735  -11.2195      -15.3896  -15.3806
 5     -9.6813   -9.3859        7.8342    7.6892       12.1449   11.2195
 6      7.7832    7.6914        9.3224    9.3859        4.2991    3.9600
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.3369                 1.0785                 0.0672
  Dep-P Fr= 1--      0.7106                 0.6979                 0.4453
  Dep-U Fr= 1--      0.8308                 0.8221                 0.6162
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0004
 Beta2  Fr= 1--      0.0466                 0.1478                 0.0069
 AlphaG Fr= 1--     -0.0031                 0.0026                -0.0040
 Gamma2 Fr= 1--     -0.1559                 0.0401                -0.0040
 Delta2 Fr= 1--     -0.0255                -0.0594                 0.0058
 Raman1 Fr= 1--       1.348                  4.314                  0.269
 ROA1   Fr= 1--     -15.783                  1.952                 -0.197
 CID1   Fr= 1--     -11.712                  0.452                 -0.733
 Raman2 Fr= 1--       0.560                  1.773                  0.083
 ROA2   Fr= 1--      -3.538                  1.438                 -0.142
 CID2   Fr= 1--      -6.321                  0.811                 -1.714
 Raman3 Fr= 1--       1.120                  3.546                  0.166
 ROA3   Fr= 1--     -15.783                  1.952                 -0.197
 CID3   Fr= 1--     -14.097                  0.550                 -1.190
 RC180  Fr= 1--       0.662                  0.644                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0670                 0.7660                 0.7941
  Dep-P Fr= 1--      0.1688                 0.5074                 0.2480
  Dep-U Fr= 1--      0.2889                 0.6732                 0.3974
 Alpha2 Fr= 1--      0.0010                 0.0037                 0.0095
 Beta2  Fr= 1--      0.0032                 0.0859                 0.0526
 AlphaG Fr= 1--     -0.0017                 0.0095                -0.0022
 Gamma2 Fr= 1--      0.0277                 0.1162                -0.2620
 Delta2 Fr= 1--      0.0228                -0.0096                 0.0902
 Raman1 Fr= 1--       0.268                  3.064                  3.177
 ROA1   Fr= 1--       3.389                 10.845                -22.265
 CID1   Fr= 1--      12.641                  3.540                 -7.009
 Raman2 Fr= 1--       0.039                  1.031                  0.631
 ROA2   Fr= 1--       0.482                  2.865                 -7.010
 CID2   Fr= 1--      12.460                  2.778                -11.105
 Raman3 Fr= 1--       0.077                  2.063                  1.262
 ROA3   Fr= 1--       3.389                 10.845                -22.265
 CID3   Fr= 1--      43.757                  5.258                -17.636
 RC180  Fr= 1--      -0.422                  0.346                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.5687                 0.7285                 1.0190
  Dep-P Fr= 1--      0.6858                 0.2494                 0.7482
  Dep-U Fr= 1--      0.8136                 0.3992                 0.8560
 Alpha2 Fr= 1--      0.0018                 0.0086                 0.0000
 Beta2  Fr= 1--      0.2127                 0.0485                 0.1454
 AlphaG Fr= 1--     -0.0057                -0.0245                -0.0019
 Gamma2 Fr= 1--      0.0158                 0.3247                -0.8386
 Delta2 Fr= 1--     -0.1700                 0.0493                 0.1145
 Raman1 Fr= 1--       6.275                  2.914                  4.076
 ROA1   Fr= 1--      -3.928                 32.752                -76.839
 CID1   Fr= 1--      -0.626                 11.240                -18.852
 Raman2 Fr= 1--       2.553                  0.582                  1.744
 ROA2   Fr= 1--       1.738                  7.400                -21.042
 CID2   Fr= 1--       0.681                 12.722                -12.062
 Raman3 Fr= 1--       5.105                  1.163                  3.489
 ROA3   Fr= 1--      -3.928                 32.752                -76.839
 CID3   Fr= 1--      -0.769                 28.154                -22.025
 RC180  Fr= 1--       0.627                 -0.202                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.3729                 5.1497                19.2015
  Dep-P Fr= 1--      0.3492                 0.0665                 0.0287
  Dep-U Fr= 1--      0.5177                 0.1247                 0.0557
 Alpha2 Fr= 1--      0.0121                 0.0978                 0.3990
 Beta2  Fr= 1--      0.1185                 0.1070                 0.1783
 AlphaG Fr= 1--      0.0331                -0.2269                 0.3408
 Gamma2 Fr= 1--      0.6487                -0.4805                -0.3246
 Delta2 Fr= 1--     -0.3203                -0.1321                -0.1893
 Raman1 Fr= 1--       5.492                 20.599                 76.806
 ROA1   Fr= 1--      52.021                -50.357                -37.223
 CID1   Fr= 1--       9.473                 -2.445                 -0.485
 Raman2 Fr= 1--       1.421                  1.284                  2.140
 ROA2   Fr= 1--      18.130                -10.475                 -6.277
 CID2   Fr= 1--      12.755                 -8.156                 -2.933
 Raman3 Fr= 1--       2.843                  2.569                  4.279
 ROA3   Fr= 1--      52.021                -50.357                -37.223
 CID3   Fr= 1--      18.299                -19.603                 -8.698
 RC180  Fr= 1--       0.035                 -0.751                 -0.889
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      2.1060                 2.9855                 0.7032
  Dep-P Fr= 1--      0.5301                 0.2742                 0.6954
  Dep-U Fr= 1--      0.6929                 0.4303                 0.8204
 Alpha2 Fr= 1--      0.0090                 0.0330                 0.0007
 Beta2  Fr= 1--      0.2432                 0.2141                 0.0961
 AlphaG Fr= 1--      0.0159                -0.0589                -0.0197
 Gamma2 Fr= 1--      1.3028                 1.2836                -0.2565
 Delta2 Fr= 1--      0.2779                -0.7033                -0.1469
 Raman1 Fr= 1--       8.424                 11.942                  2.813
 ROA1   Fr= 1--     133.965                100.724                -29.327
 CID1   Fr= 1--      15.903                  8.434                -10.427
 Raman2 Fr= 1--       2.918                  2.570                  1.154
 ROA2   Fr= 1--      29.044                 36.433                 -4.982
 CID2   Fr= 1--       9.952                 14.179                 -4.318
 Raman3 Fr= 1--       5.837                  5.139                  2.307
 ROA3   Fr= 1--     133.965                100.724                -29.327
 CID3   Fr= 1--      22.952                 19.599                -12.710
 RC180  Fr= 1--       0.386                 -0.139                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.5922                 5.0037                 2.3495
  Dep-P Fr= 1--      0.2072                 0.5986                 0.6937
  Dep-U Fr= 1--      0.3432                 0.7489                 0.8192
 Alpha2 Fr= 1--      0.0212                 0.0140                 0.0023
 Beta2  Fr= 1--      0.0911                 0.6245                 0.3208
 AlphaG Fr= 1--      0.0267                 0.0263                 0.0143
 Gamma2 Fr= 1--     -1.2903                 0.4637                 0.0915
 Delta2 Fr= 1--     -0.3522                 0.0496                -1.3531
 Raman1 Fr= 1--       6.369                 20.015                  9.398
 ROA1   Fr= 1--    -135.137                 46.099                -34.513
 CID1   Fr= 1--     -21.218                  2.303                 -3.672
 Raman2 Fr= 1--       1.093                  7.495                  3.849
 ROA2   Fr= 1--     -28.150                 10.731                 13.022
 CID2   Fr= 1--     -25.756                  1.432                  3.383
 Raman3 Fr= 1--       2.186                 14.989                  7.698
 ROA3   Fr= 1--    -135.137                 46.099                -34.513
 CID3   Fr= 1--     -61.822                  3.075                 -4.483
 RC180  Fr= 1--      -0.314                  0.498                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      2.0710                 1.2355                 6.5924
  Dep-P Fr= 1--      0.7493                 0.7500                 0.7453
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8541
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.2957                 0.1765                 0.9384
 AlphaG Fr= 1--     -0.0041                 0.0000                -0.0113
 Gamma2 Fr= 1--     -0.7934                 0.2307                 1.6240
 Delta2 Fr= 1--     -1.0531                -0.3140                 0.1589
 Raman1 Fr= 1--       8.284                  4.942                 26.370
 ROA1   Fr= 1--    -109.861                 12.099                160.994
 CID1   Fr= 1--     -13.262                  2.448                  6.105
 Raman2 Fr= 1--       3.548                  2.118                 11.261
 ROA2   Fr= 1--     -10.616                  8.049                 37.706
 CID2   Fr= 1--      -2.992                  3.800                  3.348
 Raman3 Fr= 1--       7.097                  4.236                 22.521
 ROA3   Fr= 1--    -109.861                 12.099                160.994
 CID3   Fr= 1--     -15.481                  2.856                  7.149
 RC180  Fr= 1--       0.713                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      2.4005                 2.6277                 2.1958
  Dep-P Fr= 1--      0.6747                 0.3805                 0.6990
  Dep-U Fr= 1--      0.8057                 0.5513                 0.8228
 Alpha2 Fr= 1--      0.0032                 0.0208                 0.0020
 Beta2  Fr= 1--      0.3224                 0.2414                 0.3011
 AlphaG Fr= 1--     -0.0205                 0.0036                -0.0294
 Gamma2 Fr= 1--     -1.6678                 0.0620                -0.6082
 Delta2 Fr= 1--     -1.5291                 0.4863                -1.8196
 Raman1 Fr= 1--       9.602                 10.511                  8.783
 ROA1   Fr= 1--    -209.038                 21.517               -116.611
 CID1   Fr= 1--     -21.770                  2.047                -13.277
 Raman2 Fr= 1--       3.868                  2.897                  3.613
 ROA2   Fr= 1--     -27.794                 -2.402                 -0.040
 CID2   Fr= 1--      -7.185                 -0.829                 -0.011
 Raman3 Fr= 1--       7.737                  5.795                  7.227
 ROA3   Fr= 1--    -209.038                 21.517               -116.611
 CID3   Fr= 1--     -27.019                  3.713                -16.135
 RC180  Fr= 1--       0.611                  0.103                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      3.2935                 1.4495                 4.3505
  Dep-P Fr= 1--      0.7496                 0.4311                 0.5367
  Dep-U Fr= 1--      0.8569                 0.6025                 0.6985
 Alpha2 Fr= 1--      0.0000                 0.0096                 0.0179
 Beta2  Fr= 1--      0.4704                 0.1456                 0.5065
 AlphaG Fr= 1--     -0.0041                 0.0663                 0.0498
 Gamma2 Fr= 1--      4.5069                 1.5238                 2.0819
 Delta2 Fr= 1--      1.1329                 0.9019                 0.0909
 Raman1 Fr= 1--      13.174                  5.798                 17.402
 ROA1   Fr= 1--     468.920                175.143                202.776
 CID1   Fr= 1--      35.594                 30.207                 11.652
 Raman2 Fr= 1--       5.645                  1.747                  6.078
 ROA2   Fr= 1--      99.103                 29.355                 49.239
 CID2   Fr= 1--      17.557                 16.807                  8.101
 Raman3 Fr= 1--      11.289                  3.493                 12.156
 ROA3   Fr= 1--     468.920                175.143                202.776
 CID3   Fr= 1--      41.538                 50.138                 16.681
 RC180  Fr= 1--       0.714                  0.205                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      3.2092                 3.9439                 1.9477
  Dep-P Fr= 1--      0.5114                 0.7073                 0.6103
  Dep-U Fr= 1--      0.6767                 0.8286                 0.7580
 Alpha2 Fr= 1--      0.0150                 0.0029                 0.0050
 Beta2  Fr= 1--      0.3619                 0.5446                 0.2460
 AlphaG Fr= 1--     -0.0144                 0.0002                -0.0078
 Gamma2 Fr= 1--      0.9875                -1.0246                 0.3701
 Delta2 Fr= 1--      0.5358                 0.0239                 0.2629
 Raman1 Fr= 1--      12.837                 15.775                  7.791
 ROA1   Fr= 1--     111.951                -97.595                 43.947
 CID1   Fr= 1--       8.721                 -6.187                  5.641
 Raman2 Fr= 1--       4.343                  6.536                  2.953
 ROA2   Fr= 1--      19.414                -24.781                  6.780
 CID2   Fr= 1--       4.470                 -3.792                  2.296
 Raman3 Fr= 1--       8.686                 13.071                  5.905
 ROA3   Fr= 1--     111.951                -97.595                 43.947
 CID3   Fr= 1--      12.888                 -7.466                  7.442
 RC180  Fr= 1--       0.353                  0.657                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.8623                 1.0115                 3.3103
  Dep-P Fr= 1--      0.7453                 0.7213                 0.7384
  Dep-U Fr= 1--      0.8541                 0.8381                 0.8495
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0007
 Beta2  Fr= 1--      0.2651                 0.1413                 0.4687
 AlphaG Fr= 1--      0.0027                 0.0144                 0.0005
 Gamma2 Fr= 1--      1.2043                -1.0961                 2.5290
 Delta2 Fr= 1--      0.2531                -0.3419                 1.5305
 Raman1 Fr= 1--       7.449                  4.046                 13.241
 ROA1   Fr= 1--     123.709               -116.164                291.763
 CID1   Fr= 1--      16.607                -28.711                 22.034
 Raman2 Fr= 1--       3.181                  1.695                  5.624
 ROA2   Fr= 1--      26.877                -23.571                 48.452
 CID2   Fr= 1--       8.449                -13.903                  8.615
 Raman3 Fr= 1--       6.362                  3.391                 11.248
 ROA3   Fr= 1--     123.709               -116.164                291.763
 CID3   Fr= 1--      19.444                -34.259                 25.938
 RC180  Fr= 1--       0.708                  0.676                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.3495                 0.2673                 6.8852
  Dep-P Fr= 1--      0.7287                 0.5129                 0.7117
  Dep-U Fr= 1--      0.8431                 0.6781                 0.8316
 Alpha2 Fr= 1--      0.0009                 0.0012                 0.0046
 Beta2  Fr= 1--      0.3301                 0.0302                 0.9542
 AlphaG Fr= 1--     -0.0054                -0.0048                -0.0272
 Gamma2 Fr= 1--      0.9533                -0.1883                 1.0326
 Delta2 Fr= 1--     -0.5577                -0.0513                -0.3578
 Raman1 Fr= 1--       9.398                  1.069                 27.541
 ROA1   Fr= 1--      73.675                -19.717                 87.676
 CID1   Fr= 1--       7.839                -18.442                  3.184
 Raman2 Fr= 1--       3.962                  0.362                 11.451
 ROA2   Fr= 1--      27.342                 -4.109                 27.644
 CID2   Fr= 1--       6.901                -11.336                  2.414
 Raman3 Fr= 1--       7.923                  0.725                 22.902
 ROA3   Fr= 1--      73.675                -19.717                 87.676
 CID3   Fr= 1--       9.298                -27.199                  3.828
 RC180  Fr= 1--       0.686                  0.356                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      5.8119                 3.0409                 6.4577
  Dep-P Fr= 1--      0.7493                 0.7278                 0.7449
  Dep-U Fr= 1--      0.8567                 0.8425                 0.8538
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0006
 Beta2  Fr= 1--      0.8298                 0.4270                 0.9189
 AlphaG Fr= 1--     -0.0057                -0.0079                -0.0001
 Gamma2 Fr= 1--     -0.8981                -3.4115                 2.1914
 Delta2 Fr= 1--      0.0453                -2.5688                 1.2031
 Raman1 Fr= 1--      23.248                 12.164                 25.831
 ROA1   Fr= 1--     -84.766               -409.706                248.871
 CID1   Fr= 1--      -3.646                -33.683                  9.635
 Raman2 Fr= 1--       9.958                  5.124                 11.027
 ROA2   Fr= 1--     -21.916                -61.325                 42.968
 CID2   Fr= 1--      -2.201                -11.969                  3.897
 Raman3 Fr= 1--      19.916                 10.247                 22.054
 ROA3   Fr= 1--     -84.766               -409.706                248.871
 CID3   Fr= 1--      -4.256                -39.981                 11.285
 RC180  Fr= 1--       0.713                  0.685                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      5.2046                 4.5557                17.2097
  Dep-P Fr= 1--      0.7409                 0.5478                 0.5245
  Dep-U Fr= 1--      0.8511                 0.7079                 0.6881
 Alpha2 Fr= 1--      0.0008                 0.0176                 0.0754
 Beta2  Fr= 1--      0.7383                 0.5375                 1.9736
 AlphaG Fr= 1--      0.0056                 0.0110                 0.0753
 Gamma2 Fr= 1--      1.8871                -1.0352                 3.5648
 Delta2 Fr= 1--      0.6201                -0.1722                -0.9828
 Raman1 Fr= 1--      20.818                 18.223                 68.839
 ROA1   Fr= 1--     201.000               -104.891                310.768
 CID1   Fr= 1--       9.655                 -5.756                  4.514
 Raman2 Fr= 1--       8.860                  6.450                 23.683
 ROA2   Fr= 1--      40.329                -23.468                 93.417
 CID2   Fr= 1--       4.552                 -3.639                  3.945
 Raman3 Fr= 1--      17.719                 12.899                 47.365
 ROA3   Fr= 1--     201.000               -104.891                310.768
 CID3   Fr= 1--      11.344                 -8.132                  6.561
 RC180  Fr= 1--       0.702                  0.416                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    117.8706                39.1385               233.5331
  Dep-P Fr= 1--      0.1623                 0.5329                 0.0035
  Dep-U Fr= 1--      0.2793                 0.6953                 0.0070
 Alpha2 Fr= 1--      1.7659                 0.1642                 5.1475
 Beta2  Fr= 1--      5.4864                 4.5353                 0.2708
 AlphaG Fr= 1--      1.2313                -0.8884                -0.9886
 Gamma2 Fr= 1--     26.4931                11.9282                -0.7114
 Delta2 Fr= 1--     13.4343                 6.3297                -1.4993
 Raman1 Fr= 1--     471.483                156.554                934.133
 ROA1   Fr= 1--    2973.232               1347.654               -116.271
 CID1   Fr= 1--       6.306                  8.608                 -0.124
 Raman2 Fr= 1--      65.837                 54.424                  3.250
 ROA2   Fr= 1--     528.360                235.639                 -5.079
 CID2   Fr= 1--       8.025                  4.330                 -1.563
 Raman3 Fr= 1--     131.673                108.848                  6.500
 ROA3   Fr= 1--    2973.232               1347.654               -116.271
 CID3   Fr= 1--      22.580                 12.381                -17.889
 RC180  Fr= 1--      -0.441                  0.391                 -0.986
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     20.4932                91.1910               249.3701
  Dep-P Fr= 1--      0.7234                 0.4543                 0.0688
  Dep-U Fr= 1--      0.8395                 0.6248                 0.1287
 Alpha2 Fr= 1--      0.0094                 0.5494                 4.7093
 Beta2  Fr= 1--      2.8674                 9.4956                 5.3505
 AlphaG Fr= 1--      0.0635                 0.1160                 1.3396
 Gamma2 Fr= 1--    -14.5048               -12.5865                17.7829
 Delta2 Fr= 1--     -8.5630                 0.1199                -5.8769
 Raman1 Fr= 1--      81.973                364.764                997.480
 ROA1   Fr= 1--   -1666.479              -1204.464               1519.095
 CID1   Fr= 1--     -20.330                 -3.302                  1.523
 Raman2 Fr= 1--      34.408                113.947                 64.206
 ROA2   Fr= 1--    -279.612               -303.034                473.804
 CID2   Fr= 1--      -8.126                 -2.659                  7.379
 Raman3 Fr= 1--      68.817                227.895                128.412
 ROA3   Fr= 1--   -1666.479              -1204.464               1519.095
 CID3   Fr= 1--     -24.216                 -5.285                 11.830
 RC180  Fr= 1--       0.679                  0.250                 -0.743
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     88.2036               179.1156                86.2214
  Dep-P Fr= 1--      0.6878                 0.1582                 0.4987
  Dep-U Fr= 1--      0.8150                 0.2732                 0.6655
 Alpha2 Fr= 1--      0.0964                 2.7119                 0.4284
 Beta2  Fr= 1--     11.9811                 8.1545                 9.5631
 AlphaG Fr= 1--     -0.0036                 0.3634                -0.4764
 Gamma2 Fr= 1--     74.2696               -49.4584               -38.9222
 Delta2 Fr= 1--     37.2733               -28.2627               -28.3103
 Raman1 Fr= 1--     352.814                716.463                344.886
 ROA1   Fr= 1--    8322.624              -5652.410              -4642.466
 CID1   Fr= 1--      23.589                 -7.889                -13.461
 Raman2 Fr= 1--     143.773                 97.854                114.758
 ROA2   Fr= 1--    1484.284               -960.899               -707.651
 CID2   Fr= 1--      10.324                 -9.820                 -6.166
 Raman3 Fr= 1--     287.546                195.709                229.515
 ROA3   Fr= 1--    8322.624              -5652.410              -4642.466
 CID3   Fr= 1--      28.944                -28.882                -20.227
 RC180  Fr= 1--       0.630                 -0.454                  0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     85.0886                55.8397               106.1391
  Dep-P Fr= 1--      0.4309                 0.6235                 0.4315
  Dep-U Fr= 1--      0.6022                 0.7681                 0.6029
 Alpha2 Fr= 1--      0.5623                 0.1289                 0.6997
 Beta2  Fr= 1--      8.5405                 7.1482                10.6646
 AlphaG Fr= 1--      0.4692                -0.2628                 0.2840
 Gamma2 Fr= 1--     25.1114               -15.7906                 4.2263
 Delta2 Fr= 1--     17.0846                -8.1969                 8.1865
 Raman1 Fr= 1--     340.354                223.359                424.557
 ROA1   Fr= 1--    2957.403              -1778.196                667.694
 CID1   Fr= 1--       8.689                 -7.961                  1.573
 Raman2 Fr= 1--     102.486                 85.779                127.975
 ROA2   Fr= 1--     465.997               -313.399                 35.939
 CID2   Fr= 1--       4.547                 -3.654                  0.281
 Raman3 Fr= 1--     204.973                171.558                255.950
 ROA3   Fr= 1--    2957.403              -1778.196                667.694
 CID3   Fr= 1--      14.428                -10.365                  2.609
 RC180  Fr= 1--       0.204                  0.536                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.928445D+02  0.281721D+00 -0.194765D+01
      2   0.281721D+00  0.917387D+02  0.717209D+00
      3  -0.194765D+01  0.717209D+00  0.768357D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.370651D+01  0.260185D+01 -0.857793D+01
      2  -0.137877D+02  0.518677D+01 -0.149923D+02
      3   0.162849D+02  0.962154D+01  0.101761D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.445934D+02 -0.208295D+02 -0.198996D+02
      2   0.264653D+02  0.280029D+02  0.236972D+01
      3   0.181281D+02 -0.717339D+01  0.175298D+02
      4   0.794210D+01 -0.730613D+01  0.141307D+02
      5  -0.173271D+02  0.102857D+02 -0.268627D+02
      6   0.102854D+02 -0.444365D+01  0.176383D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.512040D+01 -0.228456D+01 -0.183657D+01 -0.879072D+00  0.279812D+01
      2  -0.228456D+01  0.187732D+00 -0.356471D+00  0.279812D+01  0.283025D+01
      3  -0.183657D+01 -0.356471D+00 -0.270483D+01 -0.621263D+00 -0.186152D+01
                 6             7             8             9            10 
      1  -0.621263D+00 -0.266674D+01 -0.482827D+00 -0.361875D+01  0.940296D+00
      2  -0.186152D+01 -0.482827D+00 -0.118306D+01 -0.699825D+00  0.297124D+01
      3  -0.531858D-01 -0.361875D+01 -0.699825D+00  0.507395D+01 -0.770603D-01
                11            12            13            14            15 
      1   0.297124D+01 -0.770603D-01  0.812591D+00 -0.453414D+01 -0.478310D+00
      2  -0.346243D+01 -0.136627D+01 -0.453414D+01 -0.865635D+00  0.348804D+01
      3  -0.136627D+01  0.163917D+01 -0.478310D+00  0.348804D+01  0.436279D+00
                16            17            18            19            20 
      1   0.654459D+00 -0.186187D+01  0.884894D+00  0.184138D+01 -0.285567D+01
      2  -0.186187D+01  0.263012D+01  0.165018D+01 -0.285567D+01  0.336482D+01
      3   0.884894D+00  0.165018D+01 -0.721077D+00  0.177195D+01 -0.848548D+00
                21            22            23            24            25 
      1   0.177195D+01 -0.322442D+01  0.323206D+01 -0.140667D+01  0.107311D+01
      2  -0.848548D+00  0.323206D+01  0.576352D+01 -0.212893D+01 -0.757436D+00
      3  -0.227668D+01 -0.140667D+01 -0.212893D+01 -0.188885D+01 -0.166705D+01
                26            27            28            29            30 
      1  -0.757436D+00 -0.166705D+01 -0.211761D+01  0.265409D+01 -0.159577D+01
      2  -0.103384D+01 -0.199566D+01  0.265409D+01 -0.191354D+01  0.320638D+01
      3  -0.199566D+01 -0.353888D+01 -0.159577D+01  0.320638D+01  0.300932D+01
                31            32            33            34            35 
      1   0.386947D+01 -0.219690D+01  0.314084D+01 -0.168078D+01  0.402417D+01
      2  -0.219690D+01 -0.274308D+01  0.103973D+01  0.402417D+01  0.199659D+01
      3   0.314084D+01  0.103973D+01 -0.846075D+00  0.320367D+01 -0.117826D+01
                36            37            38            39            40 
      1   0.320367D+01  0.484812D+01 -0.450340D+01 -0.150708D+01 -0.348983D+01
      2  -0.117826D+01 -0.450340D+01  0.356365D+01  0.844963D+00  0.520649D+01
      3  -0.428883D+01 -0.150708D+01  0.844963D+00  0.363516D+00  0.966890D+00
                41            42            43            44            45 
      1   0.520649D+01  0.966890D+00 -0.185017D+01  0.157261D+01  0.185537D+01
      2  -0.968413D+01 -0.316304D+01  0.157261D+01 -0.286524D+01 -0.378123D+01
      3  -0.316304D+01 -0.164370D+01  0.185537D+01 -0.378123D+01 -0.250089D+01
                46            47            48            49            50 
      1   0.217912D+01  0.713773D+00 -0.151204D+01  0.241213D+00  0.223507D+00
      2   0.713773D+00  0.505932D+00 -0.238552D+00  0.223507D+00  0.471687D-01
      3  -0.151204D+01 -0.238552D+00  0.148773D+01  0.979210D-01 -0.910817D+00
                51            52            53            54            55 
      1   0.979210D-01 -0.252507D+01 -0.236449D+00  0.306042D+01  0.896937D+01
      2  -0.910817D+00 -0.236449D+00 -0.167740D+01  0.105232D+01  0.193356D+01
      3   0.385354D+00  0.306042D+01  0.105232D+01 -0.718377D+01  0.237282D+01
                56            57            58            59            60 
      1   0.193356D+01  0.237282D+01  0.780445D+00  0.101688D+01  0.299415D+00
      2   0.173872D+01  0.387798D+00  0.101688D+01  0.765841D+00  0.840552D+00
      3   0.387798D+00  0.179671D+01  0.299415D+00  0.840552D+00  0.342019D+00
                61            62            63            64            65 
      1   0.395719D+01  0.648326D+00  0.249776D+01  0.684477D+00  0.661399D+00
      2   0.648326D+00  0.147452D+01  0.807313D+00  0.661399D+00 -0.531025D-01
      3   0.249776D+01  0.807313D+00  0.149409D+01  0.109967D+01  0.189392D+00
                66            67            68            69            70 
      1   0.109967D+01  0.158265D+01 -0.200514D+00  0.206791D+00  0.147938D+01
      2   0.189392D+00 -0.200514D+00  0.719165D+00  0.134920D+01  0.225092D+00
      3   0.196233D+01  0.206791D+00  0.134920D+01  0.181000D+01  0.124803D+01
                71            72            73            74            75 
      1   0.225092D+00  0.124803D+01 -0.117093D+01 -0.117096D+01  0.809245D-01
      2   0.121839D+01  0.865330D+00 -0.117096D+01 -0.142825D+01  0.503615D+00
      3   0.865330D+00  0.837311D+01  0.809245D-01  0.503615D+00 -0.233484D+00
                76            77            78            79            80 
      1  -0.165516D+01 -0.154223D+01  0.432444D+00 -0.826327D-01  0.273334D+00
      2  -0.154223D+01 -0.838142D+01  0.238232D+01  0.273334D+00  0.825253D+00
      3   0.432444D+00  0.238232D+01 -0.166046D+01 -0.131669D+00 -0.119026D+01
                81            82            83            84            85 
      1  -0.131669D+00 -0.369927D+01  0.440227D+00  0.264311D+01  0.723588D+00
      2  -0.119026D+01  0.440227D+00 -0.810058D+00 -0.105102D+01 -0.828910D+00
      3   0.139421D+01  0.264311D+01 -0.105102D+01 -0.308244D+01 -0.111956D+01
                86            87            88            89            90 
      1  -0.828910D+00 -0.111956D+01  0.314383D+01 -0.104793D+01 -0.320729D+01
      2   0.147582D+01  0.127603D+01 -0.104793D+01  0.121718D+01  0.129888D+01
      3   0.127603D+01  0.166321D+01 -0.320729D+01  0.129888D+01  0.610253D+01
                91            92            93            94            95 
      1   0.323780D+01 -0.197316D+01  0.138433D+01 -0.316996D+01  0.280892D+01
      2  -0.197316D+01  0.193077D+01 -0.396598D+01  0.280892D+01  0.295970D+01
      3   0.138433D+01 -0.396598D+01 -0.155641D+01 -0.470641D+01 -0.134259D+01
                96            97            98            99           100 
      1  -0.470641D+01  0.614391D+00 -0.479633D+01 -0.114707D+01  0.164291D+01
      2  -0.134259D+01 -0.479633D+01 -0.215919D+01  0.176150D+01 -0.213457D+00
      3   0.109028D+01 -0.114707D+01  0.176150D+01  0.271024D+01 -0.109991D+01
               101           102           103           104           105 
      1  -0.213457D+00 -0.109991D+01 -0.385063D+00 -0.165179D-02  0.640928D+00
      2   0.977237D+00  0.114630D+01 -0.165179D-02 -0.203237D+01 -0.136874D+01
      3   0.114630D+01  0.214847D+01  0.640928D+00 -0.136874D+01 -0.174000D+01
               106           107           108           109           110 
      1  -0.156397D+01  0.525307D+00  0.671668D+00 -0.760261D+01  0.172396D+01
      2   0.525307D+00 -0.164404D+01 -0.205074D+01  0.172396D+01 -0.177412D+01
      3   0.671668D+00 -0.205074D+01 -0.517440D+01 -0.253722D+01  0.960273D+00
               111           112           113           114           115 
      1  -0.253722D+01  0.383497D+01 -0.194916D+01  0.169019D+01 -0.243925D+01
      2   0.960273D+00 -0.194916D+01  0.175973D+01 -0.688223D+00  0.100509D+01
      3  -0.158113D+01  0.169019D+01 -0.688223D+00  0.116044D+01 -0.197653D+01
               116           117           118           119           120 
      1   0.100509D+01 -0.197653D+01 -0.337967D+01 -0.216869D+01  0.680258D+00
      2  -0.500748D+00  0.466406D+00 -0.216869D+01 -0.245042D+01  0.998078D+00
      3   0.466406D+00 -0.196154D+01  0.680258D+00  0.998078D+00 -0.662472D+00
               121           122           123           124           125 
      1  -0.275624D+01 -0.347042D+01  0.111846D+01  0.192265D+01  0.181532D+01
      2  -0.347042D+01 -0.608537D+01  0.154772D+01  0.181532D+01  0.265472D+01
      3   0.111846D+01  0.154772D+01 -0.158629D+01 -0.898182D+00 -0.170485D+01
               126           127           128           129           130 
      1  -0.898182D+00  0.236876D+01  0.218139D+01  0.172383D+01  0.248722D+01
      2  -0.170485D+01  0.218139D+01 -0.285985D+01  0.666700D+00 -0.340988D+01
      3   0.157724D+01  0.172383D+01  0.666700D+00  0.889087D-01  0.813596D+00
               131           132           133           134           135 
      1  -0.340988D+01  0.813596D+00  0.190241D+01  0.964929D+00  0.266468D-01
      2  -0.510793D+01  0.225892D+01  0.964929D+00  0.361240D+01 -0.285863D+01
      3   0.225892D+01 -0.165360D+01  0.266468D-01 -0.285863D+01 -0.681801D+01
               136           137           138           139           140 
      1   0.292726D+00 -0.401172D+01 -0.766664D+00 -0.394025D+01  0.429996D+01
      2  -0.401172D+01  0.415727D+01 -0.113757D+01  0.429996D+01  0.496867D+00
      3  -0.766664D+00 -0.113757D+01 -0.252939D+00 -0.101533D+01 -0.117512D+01
               141           142           143           144           145 
      1  -0.101533D+01 -0.138457D+01 -0.817362D+00 -0.223869D+00  0.119863D+01
      2  -0.117512D+01 -0.817362D+00 -0.266585D+01  0.154816D+01  0.170862D+01
      3   0.198674D+01 -0.223869D+00  0.154816D+01  0.680404D+01 -0.740642D+00
               146           147           148           149           150 
      1   0.170862D+01 -0.740642D+00  0.170221D+01  0.248368D+01 -0.418835D+00
      2   0.224954D+01 -0.423664D+00  0.248368D+01  0.107056D+02 -0.194610D+01
      3  -0.423664D+00  0.239353D+00 -0.418835D+00 -0.194610D+01  0.136844D+01
               151           152           153           154           155 
      1  -0.114446D+01 -0.797565D+00  0.523493D+00 -0.254038D+00  0.153386D+00
      2  -0.797565D+00 -0.343870D+01  0.216123D+01  0.153386D+00  0.275475D+00
      3   0.523493D+00  0.216123D+01 -0.618296D+00  0.898114D+00 -0.110282D+00
               156           157           158           159           160 
      1   0.898114D+00  0.392970D-01  0.427425D+00  0.135657D-01  0.154109D+01
      2  -0.110282D+00  0.427425D+00  0.189922D+01  0.138954D+01  0.965935D-01
      3  -0.100991D+00  0.135657D-01  0.138954D+01  0.131010D+01  0.423954D+00
               161           162           163           164           165 
      1   0.965935D-01  0.423954D+00  0.307801D+00  0.414730D+00 -0.861251D+00
      2   0.209500D+01  0.280747D+01  0.414730D+00 -0.253543D+00  0.133997D+00
      3   0.280747D+01  0.790213D+01 -0.861251D+00  0.133997D+00  0.397815D+00
               166           167           168           169           170 
      1  -0.162828D+00 -0.588848D+00  0.793600D-02 -0.160387D+01 -0.265513D+00
      2  -0.588848D+00 -0.482195D+00 -0.873526D+00 -0.265513D+00 -0.129194D+01
      3   0.793600D-02 -0.873526D+00 -0.105642D+01 -0.689039D+00  0.236453D+00
               171           172           173           174           175 
      1  -0.689039D+00 -0.516685D+01  0.362523D+01 -0.120790D+00  0.358918D+01
      2   0.236453D+00  0.362523D+01 -0.394584D+01  0.460868D+00 -0.377439D+01
      3  -0.809178D+01 -0.120790D+00  0.460868D+00 -0.681949D+00  0.337388D+00
               176           177           178           179           180 
      1  -0.377439D+01  0.337388D+00  0.652994D+00 -0.875003D-01 -0.836445D+00
      2   0.595927D+01 -0.113425D+00 -0.875003D-01  0.735824D+00  0.804208D+00
      3  -0.113425D+00  0.575720D+00 -0.836445D+00  0.804208D+00 -0.534077D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133358D+01  0.521544D+00  0.110847D+01 -0.111034D+01 -0.107860D+01
      2  -0.557170D+01 -0.122361D+01 -0.708642D+01  0.951211D+00 -0.204743D+01
      3   0.473812D+01 -0.929871D+01 -0.363017D+01 -0.441581D+01 -0.352438D+01
                 6             7             8             9            10 
      1  -0.384696D+01  0.146293D+01  0.514088D+01 -0.363532D+01  0.522827D+01
      2   0.213193D+01 -0.126388D+02 -0.315762D+01  0.899781D+01 -0.169737D+02
      3   0.531637D+01 -0.464684D+01  0.220893D+01 -0.540442D+00 -0.718352D+01
                11            12            13            14            15 
      1   0.485528D+01 -0.237366D+01  0.492962D+01 -0.112956D+01  0.676060D+01
      2  -0.920849D+01  0.470990D+01 -0.541199D+01  0.790373D+01 -0.390933D+01
      3  -0.799101D+01  0.371243D+01  0.179390D+01  0.432216D+01 -0.951682D+01
                16            17            18            19            20 
      1   0.130801D+01  0.149979D+02 -0.240395D+00 -0.368980D+01  0.165906D+01
      2  -0.137204D+02 -0.626367D+01  0.114040D+02 -0.437421D+01  0.756495D+01
      3  -0.227053D+01 -0.945285D+01  0.871869D+00  0.223966D+01  0.161939D+01
                21            22            23            24            25 
      1  -0.484734D+01  0.224132D+01  0.518746D+01 -0.855522D+01 -0.470218D+01
      2   0.321681D+01  0.804872D+01 -0.557175D+01  0.524421D+01 -0.950524D+01
      3  -0.258012D+01  0.713099D+01 -0.668894D+01  0.314178D+01 -0.319320D+01
                26            27            28            29            30 
      1  -0.339621D+01 -0.651179D+01  0.271844D+01 -0.870347D+00 -0.453131D-02
      2   0.644820D+01  0.457922D+00  0.875063D+01 -0.864754D+01  0.133755D+01
      3   0.370278D+01  0.183236D+01  0.479309D+01 -0.743468D+01  0.768191D+01
                31            32            33            34            35 
      1  -0.143555D+01  0.103023D+01 -0.158114D+01  0.124244D+01  0.628236D+01
      2  -0.130060D+02 -0.139392D+01  0.179581D+01 -0.117751D+01 -0.147024D+01
      3  -0.249961D+00 -0.468891D+01  0.223252D+01  0.100991D+02  0.205957D+01
                36            37            38            39            40 
      1   0.981975D+00 -0.380940D+01 -0.213291D+01  0.416355D+01  0.725224D+00
      2   0.278675D+01  0.218550D+01  0.480227D+01  0.384648D+01  0.378599D+01
      3  -0.349334D+01  0.392727D+00 -0.210785D+01 -0.713468D+00  0.615444D+01
                41            42            43            44            45 
      1  -0.397966D-01 -0.964530D+01  0.958692D+00 -0.302913D+01 -0.368162D+01
      2  -0.782498D+01 -0.357677D+01  0.438667D+01 -0.112989D+01 -0.864774D+01
      3   0.109357D+02  0.365493D+01  0.450033D+01  0.546257D+01  0.230178D+01
                46            47            48            49            50 
      1   0.142053D+01  0.278354D+00 -0.124319D+01  0.438870D+00 -0.737137D+00
      2  -0.278483D+01 -0.999006D+00  0.430686D+01 -0.540453D-01 -0.485435D+00
      3  -0.593457D-02 -0.140067D+01 -0.688684D+00  0.154964D+01  0.137698D+01
                51            52            53            54            55 
      1  -0.878422D+00 -0.295837D+01  0.160609D+01  0.599787D+01 -0.350706D+01
      2   0.168724D+00  0.472193D+01  0.356445D+01 -0.162973D+02  0.100952D+02
      3   0.109716D+01 -0.610576D+00  0.444048D+01 -0.411946D+00  0.621078D+01
                56            57            58            59            60 
      1  -0.949751D+00 -0.162877D+01  0.282921D+00  0.962017D+00 -0.100272D+01
      2   0.270383D+01  0.643531D+01  0.282330D+00  0.637037D+00  0.375113D+00
      3  -0.303993D+01  0.145603D+01  0.290646D+00 -0.125045D+01 -0.189046D+01
                61            62            63            64            65 
      1  -0.287798D+01 -0.186292D+00 -0.130892D+01  0.134180D+01  0.139103D+01
      2   0.664913D+01  0.327344D+01  0.436303D+01  0.254228D+00 -0.160028D+01
      3   0.360118D+01 -0.296529D+01  0.102403D+01 -0.106220D+00 -0.244698D+01
                66            67            68            69            70 
      1   0.354553D+01 -0.287880D+00  0.362365D+01  0.364033D+01  0.210100D+01
      2  -0.318389D+01 -0.155388D+01 -0.334645D+00 -0.153841D+01 -0.362961D+01
      3  -0.187270D+01 -0.492578D-01  0.735745D-01 -0.826611D+00 -0.963256D+00
                71            72            73            74            75 
      1   0.520803D+01  0.990496D+01 -0.140306D+01 -0.208375D+01 -0.105688D+00
      2  -0.614321D+00 -0.461527D+01  0.921528D+00  0.139264D+01  0.136815D+01
      3  -0.677405D+00 -0.264324D+01  0.133849D+01 -0.363942D+00  0.874681D+00
                76            77            78            79            80 
      1  -0.168865D+01 -0.819276D+01 -0.146509D+01  0.765157D+00  0.115563D+01
      2   0.297626D+01  0.148192D+01 -0.926934D-01 -0.115585D+01 -0.175297D+00
      3   0.534449D+01  0.714514D+00 -0.257830D+00  0.407223D+00  0.328403D+00
                81            82            83            84            85 
      1  -0.190489D+00 -0.939301D-02 -0.150430D+01  0.529742D-02 -0.202657D+00
      2   0.766642D-01 -0.270868D+00  0.124666D+01  0.365743D+01  0.158798D+00
      3   0.122312D+00  0.255031D+00 -0.311905D+01 -0.197279D+01 -0.848340D-01
                86            87            88            89            90 
      1   0.105345D+01 -0.794550D+00  0.304523D+00  0.252189D+01 -0.538776D+00
      2  -0.302079D+00 -0.941050D+00 -0.245222D+01 -0.284101D+00 -0.593709D+01
      3   0.343764D+01  0.220440D+01 -0.232431D+01  0.331403D+01  0.261845D+01
                91            92            93            94            95 
      1   0.203354D+01 -0.637355D+01  0.188409D+01 -0.869563D+01 -0.450224D+01
      2  -0.180061D+01  0.115117D+02  0.800699D+01  0.130376D+02  0.519787D+01
      3  -0.976127D+01  0.419953D+01 -0.131238D+02  0.130910D+02  0.522284D+01
                96            97            98            99           100 
      1   0.214770D+00  0.319839D+01  0.483377D+01  0.178740D+01 -0.831425D+00
      2  -0.642146D+01  0.695005D+00 -0.745370D+01 -0.835975D+01  0.582745D+01
      3   0.140021D+01 -0.139991D+02 -0.579751D+00  0.521117D+01 -0.344686D+01
               101           102           103           104           105 
      1  -0.431622D+00  0.182572D+01  0.640796D+00  0.584144D+00 -0.223867D+01
      2  -0.305358D+01 -0.553765D+01 -0.289881D+01  0.363631D+01  0.501160D+01
      3   0.185789D+01  0.403337D+01  0.214896D+01 -0.464829D+01 -0.428008D+01
               106           107           108           109           110 
      1   0.677466D+00  0.117067D+01 -0.456233D+01 -0.371988D+01  0.302635D+01
      2  -0.589542D+01  0.557596D+01  0.134820D+02  0.201156D+01 -0.143777D+01
      3   0.402221D+01 -0.438438D+01 -0.641632D+01  0.992374D+01 -0.866754D+01
               111           112           113           114           115 
      1  -0.155291D+01  0.247066D+01 -0.239588D+01  0.238451D+00 -0.247388D+01
      2   0.510272D+01 -0.240741D+01  0.858452D+00 -0.301837D+01  0.171513D+01
      3   0.487037D+01 -0.639594D+01  0.753758D+01 -0.281412D+01  0.483122D+01
               116           117           118           119           120 
      1   0.213075D+01 -0.164070D+01  0.181889D+01  0.253668D+01 -0.211422D+01
      2  -0.587404D+00  0.501865D+01 -0.237420D+01 -0.362335D+01  0.314845D+01
      3  -0.307269D+01  0.269845D+01 -0.181687D+01 -0.590416D+01  0.217985D+01
               121           122           123           124           125 
      1   0.312294D+01  0.467741D+01 -0.521179D+01 -0.158295D+01 -0.201407D+01
      2  -0.358644D+01 -0.519887D+01  0.568093D+01  0.123703D+01  0.467727D+01
      3  -0.365399D+01 -0.133075D+02  0.312820D+01  0.199609D+01  0.561278D+01
               126           127           128           129           130 
      1   0.345471D+01 -0.267591D+01 -0.331726D+01 -0.198269D+00 -0.293406D+01
      2  -0.480397D+01  0.144759D+01  0.285437D+01  0.225038D+01  0.915158D+00
      3  -0.371871D+01  0.476353D+01  0.708737D+01  0.339460D+01  0.129920D+02
               131           132           133           134           135 
      1  -0.833846D+01  0.228269D+01  0.120770D+01  0.112102D+02  0.144885D+02
      2   0.238480D+01 -0.563371D+00 -0.426885D+01 -0.206181D+01 -0.413452D+01
      3  -0.527377D+01 -0.534055D+00  0.336680D+01 -0.130778D+01  0.107605D+01
               136           137           138           139           140 
      1   0.403343D+01 -0.100940D+00  0.121551D+01 -0.954930D+00  0.454224D+01
      2   0.199039D+01 -0.204341D+01  0.227891D+01 -0.174636D+01  0.418985D+01
      3  -0.840647D+01 -0.661237D+01 -0.364770D+01 -0.108945D+00  0.909952D+01
               141           142           143           144           145 
      1  -0.540729D+01  0.601456D+00  0.141637D+01 -0.119788D+02  0.197276D+01
      2  -0.251067D+01 -0.325173D+01 -0.279241D+01 -0.555712D+01 -0.310893D+00
      3  -0.246143D+01 -0.362843D+01 -0.409168D+01  0.184854D+01  0.196602D+01
               146           147           148           149           150 
      1   0.183382D+01 -0.130911D+01  0.155205D+01  0.646924D+01 -0.620205D+01
      2  -0.111058D+01  0.113630D+01 -0.425605D-01 -0.224901D+01  0.153667D+01
      3   0.187532D+00 -0.137025D+01  0.523787D+01 -0.258384D+01  0.314110D+00
               151           152           153           154           155 
      1  -0.120606D+01 -0.448073D+01  0.210168D+01 -0.204011D+01  0.206184D+00
      2  -0.930887D+00  0.156602D+01 -0.373252D+00  0.591756D+00 -0.126883D+00
      3  -0.338214D+01  0.101270D+01 -0.202606D+00 -0.109161D+01 -0.131527D+01
               156           157           158           159           160 
      1   0.501446D+00  0.187187D+00 -0.185058D+01 -0.312654D+01 -0.548410D+00
      2   0.775803D+00 -0.500033D+00  0.699172D+00  0.925092D+00 -0.305716D+01
      3   0.197655D+01  0.281729D+00  0.447658D-01 -0.729155D+00  0.418375D+01
               161           162           163           164           165 
      1  -0.182691D+01 -0.172822D+02  0.143952D+01  0.434289D-01 -0.884992D+00
      2   0.162072D+01  0.530896D+01  0.130553D+01  0.411825D-01  0.344167D-02
      3  -0.112457D+01 -0.687570D+00  0.105159D+01 -0.359976D+00 -0.144368D+01
               166           167           168           169           170 
      1   0.760520D+00  0.225323D+01  0.122911D+01  0.106079D+01  0.372654D+01
      2  -0.773578D+00  0.133967D-02  0.125040D+01 -0.399538D+01 -0.228635D+00
      3   0.417182D+00 -0.171804D+01 -0.723502D+00 -0.304598D+01 -0.150259D+01
               171           172           173           174           175 
      1   0.124930D+02 -0.165475D+01  0.141269D+01  0.201308D+01  0.932930D+00
      2   0.766020D+01 -0.189564D+01  0.131391D+01  0.265001D+01  0.182505D+01
      3  -0.772277D+00 -0.599391D+01 -0.760882D+00  0.507409D+00  0.494429D+01
               176           177           178           179           180 
      1  -0.247503D+01 -0.283375D+01  0.160115D+01 -0.596397D+00  0.717467D+00
      2  -0.158235D+01 -0.154836D+01 -0.144290D+00 -0.644371D+00  0.147761D+00
      3   0.105618D+01  0.566578D+00  0.105654D+01  0.101674D+01 -0.718563D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.232155D+02 -0.139393D+02 -0.101000D+02 -0.102191D+01  0.307907D+01
      2   0.146396D+02  0.135592D+02  0.245335D+01  0.392216D+01  0.520966D+01
      3   0.857596D+01  0.380111D+00  0.764662D+01 -0.290026D+01 -0.828873D+01
      4  -0.136568D+02 -0.685206D+01 -0.596959D+01  0.446241D+01  0.838618D+01
      5  -0.119408D+02 -0.261719D+01 -0.127271D+02 -0.821840D+00 -0.297238D+01
      6  -0.342806D+01 -0.123875D-02 -0.145247D+01 -0.128999D+00 -0.116478D+01
                 6             7             8             9            10 
      1  -0.175232D+01 -0.140080D+02 -0.368453D+01 -0.105362D+02  0.153063D+01
      2   0.621817D+00  0.288949D+01 -0.348511D+01  0.172033D+02 -0.883528D+01
      3   0.113050D+01  0.111185D+02  0.716964D+01 -0.666706D+01  0.730465D+01
      4  -0.484805D+01 -0.953799D+01 -0.374970D+01 -0.849862D+01  0.128054D+02
      5   0.821517D-01 -0.170630D+02 -0.496481D+01  0.171019D+02  0.525178D+01
      6   0.943178D+00 -0.577976D+01 -0.789706D+00  0.108572D+02 -0.115822D+01
                11            12            13            14            15 
      1  -0.381916D+00 -0.444442D+01 -0.442785D+01 -0.219478D+01  0.278937D+01
      2   0.777416D+01 -0.302984D+00  0.795558D+01 -0.126323D+02 -0.509776D+01
      3  -0.739224D+01  0.474740D+01 -0.352773D+01  0.148270D+02  0.230839D+01
      4  -0.161017D+02 -0.233193D+01 -0.250040D+02  0.179014D+02  0.937925D+01
      5  -0.177512D+01  0.333769D+00 -0.457116D+01  0.566737D+01  0.271352D+01
      6   0.605341D+01  0.501833D-01  0.197100D+01 -0.132589D+02 -0.920641D+01
                16            17            18            19            20 
      1   0.434865D+01 -0.791462D+00  0.440675D+01 -0.607988D+01  0.582694D+01
      2   0.617171D+00 -0.769371D+01 -0.952637D+01  0.275881D+01 -0.457473D+01
      3  -0.496583D+01  0.848517D+01  0.511962D+01  0.332107D+01 -0.125222D+01
      4  -0.940218D+01  0.157843D+02  0.565426D+01 -0.639585D+01  0.520291D+01
      5   0.450463D+01  0.179140D+01  0.693016D+01 -0.547112D+01  0.185212D+01
      6   0.496637D+00 -0.354654D+01 -0.416229D+01 -0.359262D+01  0.262448D+01
                21            22            23            24            25 
      1   0.529818D+01  0.110064D+02  0.135721D+02  0.514636D+01  0.512689D+00
      2   0.611474D+01 -0.895553D+01 -0.188148D+02  0.100689D+02  0.392774D+01
      3  -0.114129D+02 -0.205089D+01  0.524264D+01 -0.152153D+02 -0.444043D+01
      4   0.632413D+00  0.531873D+01 -0.672115D+01  0.113966D+01  0.217612D+01
      5   0.272291D+01  0.316314D+01  0.289048D+01 -0.247936D+01  0.182775D+01
      6   0.119722D+01  0.427604D+01  0.132495D+02 -0.446074D-01  0.996008D-01
                26            27            28            29            30 
      1   0.549546D+01  0.113525D+02 -0.321921D+00 -0.617394D+01  0.560544D+01
      2   0.632818D+01  0.103758D+02  0.312342D+01 -0.506294D+00 -0.532136D+01
      3  -0.118236D+02 -0.217283D+02 -0.280150D+01  0.668023D+01 -0.284073D+00
      4  -0.584102D+00 -0.275323D+01 -0.141854D+01 -0.154593D+01 -0.101344D+02
      5  -0.243834D+01 -0.883477D+01  0.892409D+01 -0.113846D+02 -0.168390D+02
      6   0.273514D+01  0.938566D+00 -0.457405D+01 -0.347671D+01  0.161533D+01
                31            32            33            34            35 
      1  -0.920940D+01  0.376267D+01 -0.127754D+02 -0.300455D-02 -0.121478D+02
      2   0.194271D+01 -0.106218D+01  0.593043D+01 -0.553934D+01  0.674525D+01
      3   0.726669D+01 -0.270049D+01  0.684492D+01  0.554235D+01  0.540260D+01
      4  -0.576419D+01  0.589520D+01 -0.177656D+01 -0.105530D+02 -0.604345D+01
      5  -0.167078D+02 -0.272579D+01  0.588603D+01 -0.152254D+02  0.531567D+01
      6  -0.214045D+01 -0.231627D+01 -0.478748D+01  0.157825D+01 -0.250075D+01
                36            37            38            39            40 
      1  -0.119187D+02  0.195261D+02 -0.788416D+01 -0.278767D+01 -0.253325D+01
      2   0.843184D+01  0.265144D+00 -0.635617D+01  0.155709D+01 -0.116176D+02
      3   0.348684D+01 -0.197913D+02  0.142403D+02  0.123058D+01  0.141508D+02
      4   0.424337D+01 -0.301257D+02  0.306620D+02  0.636780D+01  0.346411D+02
      5   0.207900D+02 -0.603871D+01  0.377541D+01  0.836813D+01  0.510164D+01
      6  -0.721827D+01  0.567943D+01 -0.390405D+01 -0.531077D+01 -0.498903D+01
                41            42            43            44            45 
      1  -0.118793D+02 -0.582103D+01 -0.487917D+00 -0.477533D+01 -0.651151D+01
      2   0.379500D+02  0.744046D+01 -0.206574D+00  0.758983D+01  0.345992D+01
      3  -0.260707D+02 -0.161943D+01  0.694491D+00 -0.281450D+01  0.305158D+01
      4  -0.461488D+02 -0.104807D+02  0.103362D+02 -0.127837D+02 -0.145629D+02
      5  -0.693775D+01 -0.861548D+01  0.110201D+02 -0.119190D+02 -0.118314D+02
      6   0.163483D+02  0.164829D+02 -0.760429D+01  0.191985D+02  0.130967D+02
                46            47            48            49            50 
      1   0.947576D+01  0.283515D+01 -0.487753D+01 -0.660555D-01 -0.189867D+01
      2  -0.888462D+01 -0.231832D+01  0.561185D+01  0.948199D+00 -0.226104D-01
      3  -0.591145D+00 -0.516830D+00 -0.734318D+00 -0.882144D+00  0.192128D+01
      4   0.566594D+01  0.456675D+01 -0.305550D+01  0.394646D+01  0.136704D+01
      5  -0.851139D+01 -0.163647D+01  0.115223D+02  0.344587D+00 -0.420401D+01
      6  -0.334796D+01 -0.143329D+01  0.245486D+01 -0.241554D+01 -0.221743D+01
                51            52            53            54            55 
      1   0.173412D+01 -0.646066D+01  0.253776D+01 -0.465172D+00  0.505746D+02
      2  -0.210339D+01  0.104810D+02 -0.159456D+00 -0.192358D+02 -0.280399D+02
      3   0.369269D+00 -0.402030D+01 -0.237831D+01  0.197010D+02 -0.225347D+02
      4  -0.458163D+01 -0.414792D+01 -0.633110D+01  0.768564D+01  0.218708D+02
      5   0.881736D+00  0.172844D+02  0.483887D+01 -0.297815D+02  0.162261D+02
      6   0.654168D+01  0.551625D+01  0.594123D+01 -0.130284D+02  0.354909D+01
                56            57            58            59            60 
      1   0.989750D+01  0.124413D+02  0.116490D+01  0.366459D+01  0.115771D+01
      2  -0.461044D+01 -0.743236D+01  0.135092D+01  0.183521D+00  0.398781D+00
      3  -0.528706D+01 -0.500889D+01 -0.251582D+01 -0.384811D+01 -0.155649D+01
      4   0.135025D+02  0.518553D+01  0.105124D+02  0.553275D+01  0.402368D+01
      5   0.288247D+01  0.119025D+02  0.157220D+01  0.424936D+01  0.156771D+01
      6   0.125625D+01  0.310169D+01  0.146391D+01  0.102558D+01  0.258760D+01
                61            62            63            64            65 
      1   0.190331D+02  0.335736D+01  0.965534D+01  0.117055D+01 -0.963355D+00
      2  -0.121373D+02 -0.168633D+00 -0.906411D+01 -0.548128D+01  0.421312D+00
      3  -0.689577D+01 -0.318873D+01 -0.591230D+00  0.431073D+01  0.542044D+00
      4   0.891312D+01  0.708350D+01  0.707168D+01 -0.212727D-01  0.128125D+01
      5   0.160041D+02  0.532930D+01  0.100951D+02  0.501511D+01  0.816562D+00
      6   0.473851D+01  0.323272D+01  0.191733D+01  0.275451D+00  0.935014D+00
                66            67            68            69            70 
      1  -0.482467D+01 -0.109768D+01 -0.444542D+01 -0.485417D+01 -0.263308D+01
      2  -0.513214D+01  0.853379D+00 -0.923144D+00 -0.585258D+01 -0.286948D+01
      3   0.995680D+01  0.244305D+00  0.536856D+01  0.107068D+02  0.550257D+01
      4  -0.678162D+00 -0.734901D+00  0.159605D+01  0.100310D+01 -0.189144D+01
      5   0.859130D+01  0.148855D+01  0.109713D+01  0.158192D+01  0.641827D+01
      6  -0.262550D+01  0.520177D+00  0.855301D+00  0.380695D+01 -0.941941D+00
                71            72            73            74            75 
      1  -0.174412D+01 -0.241687D+02  0.472339D+00 -0.145822D+01  0.541481D+00
      2  -0.358254D+01 -0.204066D+02  0.277202D+01  0.248315D+01 -0.404725D+00
      3   0.532666D+01  0.445753D+02 -0.324436D+01 -0.102493D+01 -0.136756D+00
      4   0.936278D+00  0.720240D+00  0.458111D+01  0.834736D+01 -0.207202D+01
      5   0.823800D+00  0.798160D+01 -0.249397D+01 -0.350238D+01  0.337936D+01
      6   0.465300D+01 -0.710044D+01 -0.267536D+01 -0.334866D+01  0.223269D+01
                76            77            78            79            80 
      1  -0.241729D+01 -0.218249D+02  0.787861D+01 -0.351171D+00  0.308930D+01
      2   0.436763D+01  0.319058D+02 -0.648930D+01  0.868616D-02 -0.929260D+00
      3  -0.195034D+01 -0.100809D+02 -0.138932D+01  0.342485D+00 -0.216004D+01
      4   0.760116D+01  0.839142D+01 -0.224802D+01 -0.960941D+00 -0.126730D+01
      5  -0.247788D+01 -0.287607D+01  0.197898D+01  0.202337D+01  0.221374D+01
      6  -0.366835D+01 -0.207457D+02  0.117782D+02  0.166485D+01  0.863953D+01
                81            82            83            84            85 
      1  -0.579015D+01  0.152907D+02 -0.116908D+01 -0.863998D+01 -0.172510D+01
      2   0.172696D+01 -0.135285D+02  0.184792D+01  0.103689D+02  0.251797D+01
      3   0.406319D+01 -0.176210D+01 -0.678839D+00 -0.172895D+01 -0.792873D+00
      4   0.184744D+01 -0.411716D+01  0.618133D+01  0.551954D+01  0.650832D+01
      5  -0.860362D+00 -0.182199D+02  0.572558D+01  0.194955D+02  0.623506D+01
      6  -0.547273D+01  0.401984D+01 -0.149879D+01 -0.262470D+01 -0.341395D+01
                86            87            88            89            90 
      1  -0.624466D+00  0.126337D+01 -0.737257D+01  0.479284D+00  0.175967D+01
      2  -0.284268D+00 -0.263895D+01  0.114613D+02 -0.243674D+01 -0.170651D+02
      3   0.908733D+00  0.137558D+01 -0.408877D+01  0.195745D+01  0.153054D+02
      4  -0.515970D+01 -0.593453D+01  0.445280D+01 -0.476244D+01 -0.749301D+01
      5  -0.683464D+01 -0.750886D+01  0.200018D+02 -0.656649D+01 -0.296180D+02
      6   0.391578D+01  0.799295D+01 -0.432230D+01  0.555862D+01  0.701930D+01
                91            92            93            94            95 
      1  -0.180143D+02  0.974830D+01 -0.176031D+02  0.165218D+02 -0.103377D+02
      2   0.119129D+02 -0.128800D+02  0.108473D+02 -0.184426D+02 -0.949394D+00
      3   0.610144D+01  0.313171D+01  0.675574D+01  0.192084D+01  0.112871D+02
      4   0.875989D+01 -0.104599D+02  0.171544D+02 -0.132870D+02 -0.162010D+02
      5  -0.970147D+01  0.209553D+02  0.270385D+01  0.265976D+02  0.786003D+01
      6   0.519789D+01  0.731136D+01  0.778179D+01  0.776283D+01  0.599357D+01
                96            97            98            99           100 
      1   0.253875D+02 -0.141303D+02  0.237247D+02  0.115386D+02 -0.638221D+01
      2  -0.800762D+01  0.124011D+02 -0.608137D+01 -0.476999D+01  0.194105D+01
      3  -0.173799D+02  0.172923D+01 -0.176434D+02 -0.676860D+01  0.444116D+01
      4   0.119034D+02  0.218935D+02  0.144969D+02 -0.292123D+01 -0.379125D+01
      5  -0.221899D+01  0.540054D+00 -0.361576D+01 -0.703285D+01  0.265724D+00
      6  -0.466908D+01  0.716241D+01 -0.518537D+01 -0.491691D+01  0.268127D+01
               101           102           103           104           105 
      1   0.359550D+01  0.103989D+02  0.277492D+01 -0.671086D+01 -0.986151D+01
      2  -0.222856D+01 -0.247891D+01 -0.587426D+00  0.597255D+01  0.402363D+01
      3  -0.136694D+01 -0.792002D+01 -0.218749D+01  0.738317D+00  0.583788D+01
      4  -0.344901D+00 -0.147754D+01  0.359917D+01  0.648088D+01  0.266013D+01
      5  -0.315831D+01 -0.331874D+01 -0.202440D+01  0.339485D+01  0.559346D+01
      6  -0.454549D+01 -0.582230D+01 -0.229423D+01  0.705105D+01  0.977051D+01
               106           107           108           109           110 
      1   0.108270D+02 -0.989518D+01 -0.180662D+02  0.523034D+02 -0.125445D+02
      2  -0.433438D+01  0.382740D+01 -0.105006D+01 -0.317891D+02  0.925908D+01
      3  -0.649261D+01  0.606778D+01  0.191163D+02 -0.205143D+02  0.328546D+01
      4   0.764755D+00  0.414013D+01  0.438137D+01 -0.701891D+01  0.115619D+02
      5   0.237273D+01  0.627948D+01  0.155524D+02  0.218570D+02 -0.690939D+01
      6  -0.274927D+01  0.102525D+02  0.157769D+02 -0.106663D+01  0.182679D+01
               111           112           113           114           115 
      1   0.150172D+02 -0.234342D+02  0.108401D+02 -0.805268D+01  0.157247D+02
      2  -0.120826D+02  0.153624D+02 -0.573936D+01  0.613961D+01 -0.128598D+02
      3  -0.293466D+01  0.807180D+01 -0.510070D+01  0.191307D+01 -0.286494D+01
      4  -0.364873D+01  0.117965D+02 -0.103565D+02  0.326199D+01 -0.372130D+01
      5   0.146380D+02 -0.120359D+02  0.528995D+01 -0.817983D+01  0.163570D+02
      6  -0.610906D+00  0.213348D+01 -0.375112D+01  0.253401D+01 -0.900579D+00
               116           117           118           119           120 
      1  -0.539537D+01  0.808211D+01  0.185155D+02  0.962261D+01 -0.284152D+01
      2   0.419533D+01 -0.919602D+01 -0.504305D+01  0.168779D+01 -0.379902D+00
      3   0.120004D+01  0.111392D+01 -0.134725D+02 -0.113104D+02  0.322142D+01
      4   0.239968D+01 -0.229460D+01  0.176767D+02  0.193537D+02 -0.697332D+01
      5  -0.442111D+01  0.132909D+02 -0.380817D+01 -0.593598D+01  0.611611D+01
      6   0.322699D+01  0.364349D+00 -0.244492D+01 -0.154402D+01  0.167553D+01
               121           122           123           124           125 
      1   0.111999D+02  0.557268D+01 -0.379406D+01 -0.800705D+01 -0.461572D+01
      2   0.324364D+01  0.151185D+02 -0.314728D+01  0.131370D+01 -0.361895D+01
      3  -0.144435D+02 -0.206912D+02  0.694134D+01  0.669335D+01  0.823467D+01
      4   0.249126D+02  0.355219D+02 -0.961098D+01 -0.122144D+02 -0.148596D+02
      5  -0.627677D+01 -0.827974D+01  0.870257D+01  0.740718D+01  0.929605D+01
      6  -0.243965D+01 -0.436028D+01  0.688971D+01  0.301631D+01  0.707249D+01
               126           127           128           129           130 
      1   0.859435D+00 -0.196404D+01  0.965941D+01 -0.252448D+00  0.122011D+02
      2   0.123997D+01  0.559181D+01 -0.151191D+02  0.334629D+01 -0.175761D+02
      3  -0.209941D+01 -0.362777D+01  0.545966D+01 -0.309384D+01  0.537500D+01
      4   0.933823D+01  0.353552D+01  0.183814D+00  0.550879D+01  0.153057D+01
      5  -0.972495D+01  0.221179D+01  0.140813D+01 -0.448858D+00 -0.661681D+00
      6  -0.591422D+01  0.658212D+01  0.389131D+01 -0.223191D-01  0.484003D+01
               131           132           133           134           135 
      1   0.161516D+02 -0.519680D+01 -0.697766D-01 -0.457688D+01  0.158848D+02
      2  -0.310215D+02  0.122786D+02  0.341910D+01  0.181256D+02 -0.104175D+02
      3   0.148700D+02 -0.708180D+01 -0.334932D+01 -0.135487D+02 -0.546728D+01
      4  -0.180970D+02  0.608494D+01  0.535226D+01  0.703985D+01 -0.283179D+01
      5   0.435414D+01 -0.763480D+00  0.646588D+00 -0.311356D+01 -0.654882D+01
      6   0.147970D+02 -0.784479D+01 -0.103870D+01 -0.142740D+02 -0.277942D+02
               136           137           138           139           140 
      1   0.232091D+01  0.528127D-01  0.126791D+01 -0.366281D+01 -0.852469D+01
      2  -0.128108D+02  0.120790D+02 -0.304228D+01  0.151309D+02 -0.125661D+01
      3   0.104899D+02 -0.121318D+02  0.177437D+01 -0.114680D+02  0.978130D+01
      4   0.124852D+02 -0.222519D+02 -0.979304D+00 -0.203672D+02  0.149931D+02
      5   0.155248D+01  0.296621D+01  0.208790D+01  0.362060D+01 -0.585614D+00
      6  -0.334926D+01 -0.270478D+01 -0.188544D+01 -0.301930D+01 -0.394846D+01
               141           142           143           144           145 
      1   0.563445D+01  0.162697D+01  0.437814D+01  0.805626D+01 -0.110774D+01
      2  -0.143550D+01 -0.284222D+00 -0.604182D+01  0.119265D+02  0.732884D+01
      3  -0.419894D+01 -0.134275D+01  0.166367D+01 -0.199828D+02 -0.622110D+01
      4  -0.123758D+01 -0.719568D+00  0.341714D+01  0.143057D+00  0.877768D+01
      5  -0.322972D+01  0.244419D+01 -0.130401D+01 -0.965589D+01 -0.170323D+01
      6   0.553545D+01  0.201107D+00  0.401111D+01  0.174029D+02 -0.425143D+01
               146           147           148           149           150 
      1  -0.352044D+01  0.944828D-01 -0.520207D+01 -0.338877D+02  0.620418D+01
      2   0.109650D+02 -0.152980D+01  0.129816D+02  0.637028D+02 -0.113110D+02
      3  -0.744455D+01  0.143531D+01 -0.777952D+01 -0.298150D+02  0.510686D+01
      4   0.147666D+02 -0.374114D+01  0.127811D+02  0.245559D+02 -0.436724D+01
      5  -0.194536D+01  0.271993D+01 -0.159577D+01 -0.310095D+01  0.267107D+01
      6  -0.281453D+01  0.203769D+01 -0.302512D+01 -0.147265D+02  0.106143D+02
               151           152           153           154           155 
      1   0.108855D+01  0.108346D+02 -0.789346D+01  0.269689D-02 -0.863939D-01
      2  -0.328789D+01 -0.182482D+02  0.893878D+01 -0.219780D+01  0.888148D+00
      3   0.219934D+01  0.741356D+01 -0.104532D+01  0.219510D+01 -0.801754D+00
      4  -0.543083D+01 -0.757793D+01  0.457150D+01 -0.512755D+00  0.336222D+01
      5   0.264103D+01  0.390344D+01 -0.174630D+01  0.107676D+01  0.163628D+01
      6   0.343294D+01  0.149229D+02 -0.606543D+01  0.409875D+01 -0.876303D+00
               156           157           158           159           160 
      1   0.157379D+01 -0.146230D+01 -0.784996D+01 -0.567334D+01  0.134832D+01
      2  -0.153648D+01  0.226981D+01  0.938131D+01  0.427742D+01 -0.113979D+01
      3  -0.373169D-01 -0.807510D+00 -0.153135D+01  0.139592D+01 -0.208524D+00
      4   0.402788D+01  0.219949D+01  0.306092D+01  0.106132D+01  0.523401D+01
      5   0.607570D+01  0.875466D+00  0.116788D+01  0.113683D+01  0.444596D+01
      6  -0.741879D+00  0.908522D-01  0.712546D+01  0.103513D+02  0.201043D+01
               161           162           163           164           165 
      1  -0.992451D+01 -0.201936D+02 -0.159705D+01 -0.572272D+00  0.182342D+01
      2   0.668965D+01  0.854347D+00 -0.705061D+00 -0.112188D+01  0.554265D-01
      3   0.323486D+01  0.193392D+02  0.230211D+01  0.169415D+01 -0.187885D+01
      4   0.219502D+01  0.354203D+01 -0.486559D+00  0.398349D+01 -0.137382D+01
      5   0.332102D+01  0.890186D+01  0.103627D+01 -0.106770D+00  0.512792D+01
      6   0.174486D+02  0.353086D+02 -0.140965D+01  0.274930D+00  0.217671D+01
               166           167           168           169           170 
      1   0.110189D+01 -0.605023D+00 -0.243458D+00  0.182314D+01  0.356049D+01
      2  -0.288829D+01 -0.111607D+01 -0.388720D+01 -0.264946D+01 -0.354964D+01
      3   0.178641D+01  0.172110D+01  0.413065D+01  0.826329D+00 -0.108506D-01
      4   0.320805D+01 -0.120989D+01  0.142862D+01 -0.266662D+01  0.242335D+01
      5   0.277319D+00  0.126522D+01  0.285957D+01  0.532615D+01 -0.670881D+00
      6   0.331147D+00 -0.112330D+01  0.272635D+01 -0.178606D+01  0.525273D+01
               171           172           173           174           175 
      1  -0.154444D+02  0.112922D+02 -0.216900D+01 -0.287732D+00  0.101225D+00
      2  -0.158968D+02  0.508552D+01 -0.114371D+02  0.586932D+00 -0.124037D+02
      3   0.313412D+02 -0.163777D+02  0.136061D+02 -0.299200D+00  0.123024D+02
      4  -0.255444D+01 -0.283317D+02  0.263393D+02 -0.124361D+01  0.249837D+02
      5   0.123991D+02  0.252405D+01 -0.232924D+01  0.438425D+01 -0.210293D+01
      6  -0.192919D+02 -0.785703D+00  0.197432D+01 -0.322741D+01  0.219751D+01
               176           177           178           179           180 
      1  -0.701833D+01  0.350930D+00 -0.151115D+01 -0.384386D+00 -0.183104D+01
      2   0.267164D+02 -0.252795D+00  0.873804D-01  0.201608D+01  0.124703D+01
      3  -0.196981D+02 -0.981349D-01  0.142377D+01 -0.163170D+01  0.584001D+00
      4  -0.295068D+02  0.119163D+01  0.212345D+01 -0.195679D+01 -0.528900D+01
      5   0.128053D+01 -0.265985D+01  0.386769D+01 -0.381706D+01  0.644188D+00
      6  -0.203161D+01  0.483297D+01 -0.451268D+01  0.588891D+01 -0.999757D+00
 Leave Link  716 at Thu Jul  8 20:16:23 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.928445D+02  0.281721D+00 -0.194765D+01
      2   0.281721D+00  0.917387D+02  0.717209D+00
      3  -0.194765D+01  0.717209D+00  0.768357D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.370651D+01  0.260185D+01 -0.857793D+01
      2  -0.137877D+02  0.518677D+01 -0.149923D+02
      3   0.162849D+02  0.962154D+01  0.101761D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.445934D+02 -0.208295D+02 -0.198996D+02
      2   0.264653D+02  0.280029D+02  0.236972D+01
      3   0.181281D+02 -0.717339D+01  0.175298D+02
      4   0.794210D+01 -0.730613D+01  0.141307D+02
      5  -0.173271D+02  0.102857D+02 -0.268627D+02
      6   0.102854D+02 -0.444365D+01  0.176383D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.512040D+01 -0.228456D+01 -0.183657D+01 -0.879072D+00  0.279812D+01
      2  -0.228456D+01  0.187732D+00 -0.356471D+00  0.279812D+01  0.283025D+01
      3  -0.183657D+01 -0.356471D+00 -0.270483D+01 -0.621263D+00 -0.186152D+01
                 6             7             8             9            10 
      1  -0.621263D+00 -0.266674D+01 -0.482827D+00 -0.361875D+01  0.940296D+00
      2  -0.186152D+01 -0.482827D+00 -0.118306D+01 -0.699825D+00  0.297124D+01
      3  -0.531858D-01 -0.361875D+01 -0.699825D+00  0.507395D+01 -0.770603D-01
                11            12            13            14            15 
      1   0.297124D+01 -0.770603D-01  0.812591D+00 -0.453414D+01 -0.478310D+00
      2  -0.346243D+01 -0.136627D+01 -0.453414D+01 -0.865635D+00  0.348804D+01
      3  -0.136627D+01  0.163917D+01 -0.478310D+00  0.348804D+01  0.436279D+00
                16            17            18            19            20 
      1   0.654459D+00 -0.186187D+01  0.884894D+00  0.184138D+01 -0.285567D+01
      2  -0.186187D+01  0.263012D+01  0.165018D+01 -0.285567D+01  0.336482D+01
      3   0.884894D+00  0.165018D+01 -0.721077D+00  0.177195D+01 -0.848548D+00
                21            22            23            24            25 
      1   0.177195D+01 -0.322442D+01  0.323206D+01 -0.140667D+01  0.107311D+01
      2  -0.848548D+00  0.323206D+01  0.576352D+01 -0.212893D+01 -0.757436D+00
      3  -0.227668D+01 -0.140667D+01 -0.212893D+01 -0.188885D+01 -0.166705D+01
                26            27            28            29            30 
      1  -0.757436D+00 -0.166705D+01 -0.211761D+01  0.265409D+01 -0.159577D+01
      2  -0.103384D+01 -0.199566D+01  0.265409D+01 -0.191354D+01  0.320638D+01
      3  -0.199566D+01 -0.353888D+01 -0.159577D+01  0.320638D+01  0.300932D+01
                31            32            33            34            35 
      1   0.386947D+01 -0.219690D+01  0.314084D+01 -0.168078D+01  0.402417D+01
      2  -0.219690D+01 -0.274308D+01  0.103973D+01  0.402417D+01  0.199659D+01
      3   0.314084D+01  0.103973D+01 -0.846075D+00  0.320367D+01 -0.117826D+01
                36            37            38            39            40 
      1   0.320367D+01  0.484812D+01 -0.450340D+01 -0.150708D+01 -0.348983D+01
      2  -0.117826D+01 -0.450340D+01  0.356365D+01  0.844963D+00  0.520649D+01
      3  -0.428883D+01 -0.150708D+01  0.844963D+00  0.363516D+00  0.966890D+00
                41            42            43            44            45 
      1   0.520649D+01  0.966890D+00 -0.185017D+01  0.157261D+01  0.185537D+01
      2  -0.968413D+01 -0.316304D+01  0.157261D+01 -0.286524D+01 -0.378123D+01
      3  -0.316304D+01 -0.164370D+01  0.185537D+01 -0.378123D+01 -0.250089D+01
                46            47            48            49            50 
      1   0.217912D+01  0.713773D+00 -0.151204D+01  0.241213D+00  0.223507D+00
      2   0.713773D+00  0.505932D+00 -0.238552D+00  0.223507D+00  0.471687D-01
      3  -0.151204D+01 -0.238552D+00  0.148773D+01  0.979210D-01 -0.910817D+00
                51            52            53            54            55 
      1   0.979210D-01 -0.252507D+01 -0.236449D+00  0.306042D+01  0.896937D+01
      2  -0.910817D+00 -0.236449D+00 -0.167740D+01  0.105232D+01  0.193356D+01
      3   0.385354D+00  0.306042D+01  0.105232D+01 -0.718377D+01  0.237282D+01
                56            57            58            59            60 
      1   0.193356D+01  0.237282D+01  0.780445D+00  0.101688D+01  0.299415D+00
      2   0.173872D+01  0.387798D+00  0.101688D+01  0.765841D+00  0.840552D+00
      3   0.387798D+00  0.179671D+01  0.299415D+00  0.840552D+00  0.342019D+00
                61            62            63            64            65 
      1   0.395719D+01  0.648326D+00  0.249776D+01  0.684477D+00  0.661399D+00
      2   0.648326D+00  0.147452D+01  0.807313D+00  0.661399D+00 -0.531025D-01
      3   0.249776D+01  0.807313D+00  0.149409D+01  0.109967D+01  0.189392D+00
                66            67            68            69            70 
      1   0.109967D+01  0.158265D+01 -0.200514D+00  0.206791D+00  0.147938D+01
      2   0.189392D+00 -0.200514D+00  0.719165D+00  0.134920D+01  0.225092D+00
      3   0.196233D+01  0.206791D+00  0.134920D+01  0.181000D+01  0.124803D+01
                71            72            73            74            75 
      1   0.225092D+00  0.124803D+01 -0.117093D+01 -0.117096D+01  0.809245D-01
      2   0.121839D+01  0.865330D+00 -0.117096D+01 -0.142825D+01  0.503615D+00
      3   0.865330D+00  0.837311D+01  0.809245D-01  0.503615D+00 -0.233484D+00
                76            77            78            79            80 
      1  -0.165516D+01 -0.154223D+01  0.432444D+00 -0.826327D-01  0.273334D+00
      2  -0.154223D+01 -0.838142D+01  0.238232D+01  0.273334D+00  0.825253D+00
      3   0.432444D+00  0.238232D+01 -0.166046D+01 -0.131669D+00 -0.119026D+01
                81            82            83            84            85 
      1  -0.131669D+00 -0.369927D+01  0.440227D+00  0.264311D+01  0.723588D+00
      2  -0.119026D+01  0.440227D+00 -0.810058D+00 -0.105102D+01 -0.828910D+00
      3   0.139421D+01  0.264311D+01 -0.105102D+01 -0.308244D+01 -0.111956D+01
                86            87            88            89            90 
      1  -0.828910D+00 -0.111956D+01  0.314383D+01 -0.104793D+01 -0.320729D+01
      2   0.147582D+01  0.127603D+01 -0.104793D+01  0.121718D+01  0.129888D+01
      3   0.127603D+01  0.166321D+01 -0.320729D+01  0.129888D+01  0.610253D+01
                91            92            93            94            95 
      1   0.323780D+01 -0.197316D+01  0.138433D+01 -0.316996D+01  0.280892D+01
      2  -0.197316D+01  0.193077D+01 -0.396598D+01  0.280892D+01  0.295970D+01
      3   0.138433D+01 -0.396598D+01 -0.155641D+01 -0.470641D+01 -0.134259D+01
                96            97            98            99           100 
      1  -0.470641D+01  0.614391D+00 -0.479633D+01 -0.114707D+01  0.164291D+01
      2  -0.134259D+01 -0.479633D+01 -0.215919D+01  0.176150D+01 -0.213457D+00
      3   0.109028D+01 -0.114707D+01  0.176150D+01  0.271024D+01 -0.109991D+01
               101           102           103           104           105 
      1  -0.213457D+00 -0.109991D+01 -0.385063D+00 -0.165179D-02  0.640928D+00
      2   0.977237D+00  0.114630D+01 -0.165179D-02 -0.203237D+01 -0.136874D+01
      3   0.114630D+01  0.214847D+01  0.640928D+00 -0.136874D+01 -0.174000D+01
               106           107           108           109           110 
      1  -0.156397D+01  0.525307D+00  0.671668D+00 -0.760261D+01  0.172396D+01
      2   0.525307D+00 -0.164404D+01 -0.205074D+01  0.172396D+01 -0.177412D+01
      3   0.671668D+00 -0.205074D+01 -0.517440D+01 -0.253722D+01  0.960273D+00
               111           112           113           114           115 
      1  -0.253722D+01  0.383497D+01 -0.194916D+01  0.169019D+01 -0.243925D+01
      2   0.960273D+00 -0.194916D+01  0.175973D+01 -0.688223D+00  0.100509D+01
      3  -0.158113D+01  0.169019D+01 -0.688223D+00  0.116044D+01 -0.197653D+01
               116           117           118           119           120 
      1   0.100509D+01 -0.197653D+01 -0.337967D+01 -0.216869D+01  0.680258D+00
      2  -0.500748D+00  0.466406D+00 -0.216869D+01 -0.245042D+01  0.998078D+00
      3   0.466406D+00 -0.196154D+01  0.680258D+00  0.998078D+00 -0.662472D+00
               121           122           123           124           125 
      1  -0.275624D+01 -0.347042D+01  0.111846D+01  0.192265D+01  0.181532D+01
      2  -0.347042D+01 -0.608537D+01  0.154772D+01  0.181532D+01  0.265472D+01
      3   0.111846D+01  0.154772D+01 -0.158629D+01 -0.898182D+00 -0.170485D+01
               126           127           128           129           130 
      1  -0.898182D+00  0.236876D+01  0.218139D+01  0.172383D+01  0.248722D+01
      2  -0.170485D+01  0.218139D+01 -0.285985D+01  0.666700D+00 -0.340988D+01
      3   0.157724D+01  0.172383D+01  0.666700D+00  0.889087D-01  0.813596D+00
               131           132           133           134           135 
      1  -0.340988D+01  0.813596D+00  0.190241D+01  0.964929D+00  0.266468D-01
      2  -0.510793D+01  0.225892D+01  0.964929D+00  0.361240D+01 -0.285863D+01
      3   0.225892D+01 -0.165360D+01  0.266468D-01 -0.285863D+01 -0.681801D+01
               136           137           138           139           140 
      1   0.292726D+00 -0.401172D+01 -0.766664D+00 -0.394025D+01  0.429996D+01
      2  -0.401172D+01  0.415727D+01 -0.113757D+01  0.429996D+01  0.496867D+00
      3  -0.766664D+00 -0.113757D+01 -0.252939D+00 -0.101533D+01 -0.117512D+01
               141           142           143           144           145 
      1  -0.101533D+01 -0.138457D+01 -0.817362D+00 -0.223869D+00  0.119863D+01
      2  -0.117512D+01 -0.817362D+00 -0.266585D+01  0.154816D+01  0.170862D+01
      3   0.198674D+01 -0.223869D+00  0.154816D+01  0.680404D+01 -0.740642D+00
               146           147           148           149           150 
      1   0.170862D+01 -0.740642D+00  0.170221D+01  0.248368D+01 -0.418835D+00
      2   0.224954D+01 -0.423664D+00  0.248368D+01  0.107056D+02 -0.194610D+01
      3  -0.423664D+00  0.239353D+00 -0.418835D+00 -0.194610D+01  0.136844D+01
               151           152           153           154           155 
      1  -0.114446D+01 -0.797565D+00  0.523493D+00 -0.254038D+00  0.153386D+00
      2  -0.797565D+00 -0.343870D+01  0.216123D+01  0.153386D+00  0.275475D+00
      3   0.523493D+00  0.216123D+01 -0.618296D+00  0.898114D+00 -0.110282D+00
               156           157           158           159           160 
      1   0.898114D+00  0.392970D-01  0.427425D+00  0.135657D-01  0.154109D+01
      2  -0.110282D+00  0.427425D+00  0.189922D+01  0.138954D+01  0.965935D-01
      3  -0.100991D+00  0.135657D-01  0.138954D+01  0.131010D+01  0.423954D+00
               161           162           163           164           165 
      1   0.965935D-01  0.423954D+00  0.307801D+00  0.414730D+00 -0.861251D+00
      2   0.209500D+01  0.280747D+01  0.414730D+00 -0.253543D+00  0.133997D+00
      3   0.280747D+01  0.790213D+01 -0.861251D+00  0.133997D+00  0.397815D+00
               166           167           168           169           170 
      1  -0.162828D+00 -0.588848D+00  0.793600D-02 -0.160387D+01 -0.265513D+00
      2  -0.588848D+00 -0.482195D+00 -0.873526D+00 -0.265513D+00 -0.129194D+01
      3   0.793600D-02 -0.873526D+00 -0.105642D+01 -0.689039D+00  0.236453D+00
               171           172           173           174           175 
      1  -0.689039D+00 -0.516685D+01  0.362523D+01 -0.120790D+00  0.358918D+01
      2   0.236453D+00  0.362523D+01 -0.394584D+01  0.460868D+00 -0.377439D+01
      3  -0.809178D+01 -0.120790D+00  0.460868D+00 -0.681949D+00  0.337388D+00
               176           177           178           179           180 
      1  -0.377439D+01  0.337388D+00  0.652994D+00 -0.875003D-01 -0.836445D+00
      2   0.595927D+01 -0.113425D+00 -0.875003D-01  0.735824D+00  0.804208D+00
      3  -0.113425D+00  0.575720D+00 -0.836445D+00  0.804208D+00 -0.534077D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.133358D+01  0.521544D+00  0.110847D+01 -0.111034D+01 -0.107860D+01
      2  -0.557170D+01 -0.122361D+01 -0.708642D+01  0.951211D+00 -0.204743D+01
      3   0.473812D+01 -0.929871D+01 -0.363017D+01 -0.441581D+01 -0.352438D+01
                 6             7             8             9            10 
      1  -0.384696D+01  0.146293D+01  0.514088D+01 -0.363532D+01  0.522827D+01
      2   0.213193D+01 -0.126388D+02 -0.315762D+01  0.899781D+01 -0.169737D+02
      3   0.531637D+01 -0.464684D+01  0.220893D+01 -0.540442D+00 -0.718352D+01
                11            12            13            14            15 
      1   0.485528D+01 -0.237366D+01  0.492962D+01 -0.112956D+01  0.676060D+01
      2  -0.920849D+01  0.470990D+01 -0.541199D+01  0.790373D+01 -0.390933D+01
      3  -0.799101D+01  0.371243D+01  0.179390D+01  0.432216D+01 -0.951682D+01
                16            17            18            19            20 
      1   0.130801D+01  0.149979D+02 -0.240395D+00 -0.368980D+01  0.165906D+01
      2  -0.137204D+02 -0.626367D+01  0.114040D+02 -0.437421D+01  0.756495D+01
      3  -0.227053D+01 -0.945285D+01  0.871869D+00  0.223966D+01  0.161939D+01
                21            22            23            24            25 
      1  -0.484734D+01  0.224132D+01  0.518746D+01 -0.855522D+01 -0.470218D+01
      2   0.321681D+01  0.804872D+01 -0.557175D+01  0.524421D+01 -0.950524D+01
      3  -0.258012D+01  0.713099D+01 -0.668894D+01  0.314178D+01 -0.319320D+01
                26            27            28            29            30 
      1  -0.339621D+01 -0.651179D+01  0.271844D+01 -0.870347D+00 -0.453131D-02
      2   0.644820D+01  0.457922D+00  0.875063D+01 -0.864754D+01  0.133755D+01
      3   0.370278D+01  0.183236D+01  0.479309D+01 -0.743468D+01  0.768191D+01
                31            32            33            34            35 
      1  -0.143555D+01  0.103023D+01 -0.158114D+01  0.124244D+01  0.628236D+01
      2  -0.130060D+02 -0.139392D+01  0.179581D+01 -0.117751D+01 -0.147024D+01
      3  -0.249961D+00 -0.468891D+01  0.223252D+01  0.100991D+02  0.205957D+01
                36            37            38            39            40 
      1   0.981975D+00 -0.380940D+01 -0.213291D+01  0.416355D+01  0.725224D+00
      2   0.278675D+01  0.218550D+01  0.480227D+01  0.384648D+01  0.378599D+01
      3  -0.349334D+01  0.392727D+00 -0.210785D+01 -0.713468D+00  0.615444D+01
                41            42            43            44            45 
      1  -0.397966D-01 -0.964530D+01  0.958692D+00 -0.302913D+01 -0.368162D+01
      2  -0.782498D+01 -0.357677D+01  0.438667D+01 -0.112989D+01 -0.864774D+01
      3   0.109357D+02  0.365493D+01  0.450033D+01  0.546257D+01  0.230178D+01
                46            47            48            49            50 
      1   0.142053D+01  0.278354D+00 -0.124319D+01  0.438870D+00 -0.737137D+00
      2  -0.278483D+01 -0.999006D+00  0.430686D+01 -0.540453D-01 -0.485435D+00
      3  -0.593457D-02 -0.140067D+01 -0.688684D+00  0.154964D+01  0.137698D+01
                51            52            53            54            55 
      1  -0.878422D+00 -0.295837D+01  0.160609D+01  0.599787D+01 -0.350706D+01
      2   0.168724D+00  0.472193D+01  0.356445D+01 -0.162973D+02  0.100952D+02
      3   0.109716D+01 -0.610576D+00  0.444048D+01 -0.411946D+00  0.621078D+01
                56            57            58            59            60 
      1  -0.949751D+00 -0.162877D+01  0.282921D+00  0.962017D+00 -0.100272D+01
      2   0.270383D+01  0.643531D+01  0.282330D+00  0.637037D+00  0.375113D+00
      3  -0.303993D+01  0.145603D+01  0.290646D+00 -0.125045D+01 -0.189046D+01
                61            62            63            64            65 
      1  -0.287798D+01 -0.186292D+00 -0.130892D+01  0.134180D+01  0.139103D+01
      2   0.664913D+01  0.327344D+01  0.436303D+01  0.254228D+00 -0.160028D+01
      3   0.360118D+01 -0.296529D+01  0.102403D+01 -0.106220D+00 -0.244698D+01
                66            67            68            69            70 
      1   0.354553D+01 -0.287880D+00  0.362365D+01  0.364033D+01  0.210100D+01
      2  -0.318389D+01 -0.155388D+01 -0.334645D+00 -0.153841D+01 -0.362961D+01
      3  -0.187270D+01 -0.492578D-01  0.735745D-01 -0.826611D+00 -0.963256D+00
                71            72            73            74            75 
      1   0.520803D+01  0.990496D+01 -0.140306D+01 -0.208375D+01 -0.105688D+00
      2  -0.614321D+00 -0.461527D+01  0.921528D+00  0.139264D+01  0.136815D+01
      3  -0.677405D+00 -0.264324D+01  0.133849D+01 -0.363942D+00  0.874681D+00
                76            77            78            79            80 
      1  -0.168865D+01 -0.819276D+01 -0.146509D+01  0.765157D+00  0.115563D+01
      2   0.297626D+01  0.148192D+01 -0.926934D-01 -0.115585D+01 -0.175297D+00
      3   0.534449D+01  0.714514D+00 -0.257830D+00  0.407223D+00  0.328403D+00
                81            82            83            84            85 
      1  -0.190489D+00 -0.939301D-02 -0.150430D+01  0.529742D-02 -0.202657D+00
      2   0.766642D-01 -0.270868D+00  0.124666D+01  0.365743D+01  0.158798D+00
      3   0.122312D+00  0.255031D+00 -0.311905D+01 -0.197279D+01 -0.848340D-01
                86            87            88            89            90 
      1   0.105345D+01 -0.794550D+00  0.304523D+00  0.252189D+01 -0.538776D+00
      2  -0.302079D+00 -0.941050D+00 -0.245222D+01 -0.284101D+00 -0.593709D+01
      3   0.343764D+01  0.220440D+01 -0.232431D+01  0.331403D+01  0.261845D+01
                91            92            93            94            95 
      1   0.203354D+01 -0.637355D+01  0.188409D+01 -0.869563D+01 -0.450224D+01
      2  -0.180061D+01  0.115117D+02  0.800699D+01  0.130376D+02  0.519787D+01
      3  -0.976127D+01  0.419953D+01 -0.131238D+02  0.130910D+02  0.522284D+01
                96            97            98            99           100 
      1   0.214770D+00  0.319839D+01  0.483377D+01  0.178740D+01 -0.831425D+00
      2  -0.642146D+01  0.695005D+00 -0.745370D+01 -0.835975D+01  0.582745D+01
      3   0.140021D+01 -0.139991D+02 -0.579751D+00  0.521117D+01 -0.344686D+01
               101           102           103           104           105 
      1  -0.431622D+00  0.182572D+01  0.640796D+00  0.584144D+00 -0.223867D+01
      2  -0.305358D+01 -0.553765D+01 -0.289881D+01  0.363631D+01  0.501160D+01
      3   0.185789D+01  0.403337D+01  0.214896D+01 -0.464829D+01 -0.428008D+01
               106           107           108           109           110 
      1   0.677466D+00  0.117067D+01 -0.456233D+01 -0.371988D+01  0.302635D+01
      2  -0.589542D+01  0.557596D+01  0.134820D+02  0.201156D+01 -0.143777D+01
      3   0.402221D+01 -0.438438D+01 -0.641632D+01  0.992374D+01 -0.866754D+01
               111           112           113           114           115 
      1  -0.155291D+01  0.247066D+01 -0.239588D+01  0.238451D+00 -0.247388D+01
      2   0.510272D+01 -0.240741D+01  0.858452D+00 -0.301837D+01  0.171513D+01
      3   0.487037D+01 -0.639594D+01  0.753758D+01 -0.281412D+01  0.483122D+01
               116           117           118           119           120 
      1   0.213075D+01 -0.164070D+01  0.181889D+01  0.253668D+01 -0.211422D+01
      2  -0.587404D+00  0.501865D+01 -0.237420D+01 -0.362335D+01  0.314845D+01
      3  -0.307269D+01  0.269845D+01 -0.181687D+01 -0.590416D+01  0.217985D+01
               121           122           123           124           125 
      1   0.312294D+01  0.467741D+01 -0.521179D+01 -0.158295D+01 -0.201407D+01
      2  -0.358644D+01 -0.519887D+01  0.568093D+01  0.123703D+01  0.467727D+01
      3  -0.365399D+01 -0.133075D+02  0.312820D+01  0.199609D+01  0.561278D+01
               126           127           128           129           130 
      1   0.345471D+01 -0.267591D+01 -0.331726D+01 -0.198269D+00 -0.293406D+01
      2  -0.480397D+01  0.144759D+01  0.285437D+01  0.225038D+01  0.915158D+00
      3  -0.371871D+01  0.476353D+01  0.708737D+01  0.339460D+01  0.129920D+02
               131           132           133           134           135 
      1  -0.833846D+01  0.228269D+01  0.120770D+01  0.112102D+02  0.144885D+02
      2   0.238480D+01 -0.563371D+00 -0.426885D+01 -0.206181D+01 -0.413452D+01
      3  -0.527377D+01 -0.534055D+00  0.336680D+01 -0.130778D+01  0.107605D+01
               136           137           138           139           140 
      1   0.403343D+01 -0.100940D+00  0.121551D+01 -0.954930D+00  0.454224D+01
      2   0.199039D+01 -0.204341D+01  0.227891D+01 -0.174636D+01  0.418985D+01
      3  -0.840647D+01 -0.661237D+01 -0.364770D+01 -0.108945D+00  0.909952D+01
               141           142           143           144           145 
      1  -0.540729D+01  0.601456D+00  0.141637D+01 -0.119788D+02  0.197276D+01
      2  -0.251067D+01 -0.325173D+01 -0.279241D+01 -0.555712D+01 -0.310893D+00
      3  -0.246143D+01 -0.362843D+01 -0.409168D+01  0.184854D+01  0.196602D+01
               146           147           148           149           150 
      1   0.183382D+01 -0.130911D+01  0.155205D+01  0.646924D+01 -0.620205D+01
      2  -0.111058D+01  0.113630D+01 -0.425605D-01 -0.224901D+01  0.153667D+01
      3   0.187532D+00 -0.137025D+01  0.523787D+01 -0.258384D+01  0.314110D+00
               151           152           153           154           155 
      1  -0.120606D+01 -0.448073D+01  0.210168D+01 -0.204011D+01  0.206184D+00
      2  -0.930887D+00  0.156602D+01 -0.373252D+00  0.591756D+00 -0.126883D+00
      3  -0.338214D+01  0.101270D+01 -0.202606D+00 -0.109161D+01 -0.131527D+01
               156           157           158           159           160 
      1   0.501446D+00  0.187187D+00 -0.185058D+01 -0.312654D+01 -0.548410D+00
      2   0.775803D+00 -0.500033D+00  0.699172D+00  0.925092D+00 -0.305716D+01
      3   0.197655D+01  0.281729D+00  0.447658D-01 -0.729155D+00  0.418375D+01
               161           162           163           164           165 
      1  -0.182691D+01 -0.172822D+02  0.143952D+01  0.434289D-01 -0.884992D+00
      2   0.162072D+01  0.530896D+01  0.130553D+01  0.411825D-01  0.344167D-02
      3  -0.112457D+01 -0.687570D+00  0.105159D+01 -0.359976D+00 -0.144368D+01
               166           167           168           169           170 
      1   0.760520D+00  0.225323D+01  0.122911D+01  0.106079D+01  0.372654D+01
      2  -0.773578D+00  0.133967D-02  0.125040D+01 -0.399538D+01 -0.228635D+00
      3   0.417182D+00 -0.171804D+01 -0.723502D+00 -0.304598D+01 -0.150259D+01
               171           172           173           174           175 
      1   0.124930D+02 -0.165475D+01  0.141269D+01  0.201308D+01  0.932930D+00
      2   0.766020D+01 -0.189564D+01  0.131391D+01  0.265001D+01  0.182505D+01
      3  -0.772277D+00 -0.599391D+01 -0.760882D+00  0.507409D+00  0.494429D+01
               176           177           178           179           180 
      1  -0.247503D+01 -0.283375D+01  0.160115D+01 -0.596397D+00  0.717467D+00
      2  -0.158235D+01 -0.154836D+01 -0.144290D+00 -0.644371D+00  0.147761D+00
      3   0.105618D+01  0.566578D+00  0.105654D+01  0.101674D+01 -0.718563D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.232155D+02 -0.139393D+02 -0.101000D+02 -0.102191D+01  0.307907D+01
      2   0.146396D+02  0.135592D+02  0.245335D+01  0.392216D+01  0.520966D+01
      3   0.857596D+01  0.380111D+00  0.764662D+01 -0.290026D+01 -0.828873D+01
      4  -0.136568D+02 -0.685206D+01 -0.596959D+01  0.446241D+01  0.838618D+01
      5  -0.119408D+02 -0.261719D+01 -0.127271D+02 -0.821840D+00 -0.297238D+01
      6  -0.342806D+01 -0.123875D-02 -0.145247D+01 -0.128999D+00 -0.116478D+01
                 6             7             8             9            10 
      1  -0.175232D+01 -0.140080D+02 -0.368453D+01 -0.105362D+02  0.153063D+01
      2   0.621817D+00  0.288949D+01 -0.348511D+01  0.172033D+02 -0.883528D+01
      3   0.113050D+01  0.111185D+02  0.716964D+01 -0.666706D+01  0.730465D+01
      4  -0.484805D+01 -0.953799D+01 -0.374970D+01 -0.849862D+01  0.128054D+02
      5   0.821517D-01 -0.170630D+02 -0.496481D+01  0.171019D+02  0.525178D+01
      6   0.943178D+00 -0.577976D+01 -0.789706D+00  0.108572D+02 -0.115822D+01
                11            12            13            14            15 
      1  -0.381916D+00 -0.444442D+01 -0.442785D+01 -0.219478D+01  0.278937D+01
      2   0.777416D+01 -0.302984D+00  0.795558D+01 -0.126323D+02 -0.509776D+01
      3  -0.739224D+01  0.474740D+01 -0.352773D+01  0.148270D+02  0.230839D+01
      4  -0.161017D+02 -0.233193D+01 -0.250040D+02  0.179014D+02  0.937925D+01
      5  -0.177512D+01  0.333769D+00 -0.457116D+01  0.566737D+01  0.271352D+01
      6   0.605341D+01  0.501833D-01  0.197100D+01 -0.132589D+02 -0.920641D+01
                16            17            18            19            20 
      1   0.434865D+01 -0.791462D+00  0.440675D+01 -0.607988D+01  0.582694D+01
      2   0.617171D+00 -0.769371D+01 -0.952637D+01  0.275881D+01 -0.457473D+01
      3  -0.496583D+01  0.848517D+01  0.511962D+01  0.332107D+01 -0.125222D+01
      4  -0.940218D+01  0.157843D+02  0.565426D+01 -0.639585D+01  0.520291D+01
      5   0.450463D+01  0.179140D+01  0.693016D+01 -0.547112D+01  0.185212D+01
      6   0.496637D+00 -0.354654D+01 -0.416229D+01 -0.359262D+01  0.262448D+01
                21            22            23            24            25 
      1   0.529818D+01  0.110064D+02  0.135721D+02  0.514636D+01  0.512689D+00
      2   0.611474D+01 -0.895553D+01 -0.188148D+02  0.100689D+02  0.392774D+01
      3  -0.114129D+02 -0.205089D+01  0.524264D+01 -0.152153D+02 -0.444043D+01
      4   0.632413D+00  0.531873D+01 -0.672115D+01  0.113966D+01  0.217612D+01
      5   0.272291D+01  0.316314D+01  0.289048D+01 -0.247936D+01  0.182775D+01
      6   0.119722D+01  0.427604D+01  0.132495D+02 -0.446074D-01  0.996008D-01
                26            27            28            29            30 
      1   0.549546D+01  0.113525D+02 -0.321921D+00 -0.617394D+01  0.560544D+01
      2   0.632818D+01  0.103758D+02  0.312342D+01 -0.506294D+00 -0.532136D+01
      3  -0.118236D+02 -0.217283D+02 -0.280150D+01  0.668023D+01 -0.284073D+00
      4  -0.584102D+00 -0.275323D+01 -0.141854D+01 -0.154593D+01 -0.101344D+02
      5  -0.243834D+01 -0.883477D+01  0.892409D+01 -0.113846D+02 -0.168390D+02
      6   0.273514D+01  0.938566D+00 -0.457405D+01 -0.347671D+01  0.161533D+01
                31            32            33            34            35 
      1  -0.920940D+01  0.376267D+01 -0.127754D+02 -0.300455D-02 -0.121478D+02
      2   0.194271D+01 -0.106218D+01  0.593043D+01 -0.553934D+01  0.674525D+01
      3   0.726669D+01 -0.270049D+01  0.684492D+01  0.554235D+01  0.540260D+01
      4  -0.576419D+01  0.589520D+01 -0.177656D+01 -0.105530D+02 -0.604345D+01
      5  -0.167078D+02 -0.272579D+01  0.588603D+01 -0.152254D+02  0.531567D+01
      6  -0.214045D+01 -0.231627D+01 -0.478748D+01  0.157825D+01 -0.250075D+01
                36            37            38            39            40 
      1  -0.119187D+02  0.195261D+02 -0.788416D+01 -0.278767D+01 -0.253325D+01
      2   0.843184D+01  0.265144D+00 -0.635617D+01  0.155709D+01 -0.116176D+02
      3   0.348684D+01 -0.197913D+02  0.142403D+02  0.123058D+01  0.141508D+02
      4   0.424337D+01 -0.301257D+02  0.306620D+02  0.636780D+01  0.346411D+02
      5   0.207900D+02 -0.603871D+01  0.377541D+01  0.836813D+01  0.510164D+01
      6  -0.721827D+01  0.567943D+01 -0.390405D+01 -0.531077D+01 -0.498903D+01
                41            42            43            44            45 
      1  -0.118793D+02 -0.582103D+01 -0.487917D+00 -0.477533D+01 -0.651151D+01
      2   0.379500D+02  0.744046D+01 -0.206574D+00  0.758983D+01  0.345992D+01
      3  -0.260707D+02 -0.161943D+01  0.694491D+00 -0.281450D+01  0.305158D+01
      4  -0.461488D+02 -0.104807D+02  0.103362D+02 -0.127837D+02 -0.145629D+02
      5  -0.693775D+01 -0.861548D+01  0.110201D+02 -0.119190D+02 -0.118314D+02
      6   0.163483D+02  0.164829D+02 -0.760429D+01  0.191985D+02  0.130967D+02
                46            47            48            49            50 
      1   0.947576D+01  0.283515D+01 -0.487753D+01 -0.660555D-01 -0.189867D+01
      2  -0.888462D+01 -0.231832D+01  0.561185D+01  0.948199D+00 -0.226104D-01
      3  -0.591145D+00 -0.516830D+00 -0.734318D+00 -0.882144D+00  0.192128D+01
      4   0.566594D+01  0.456675D+01 -0.305550D+01  0.394646D+01  0.136704D+01
      5  -0.851139D+01 -0.163647D+01  0.115223D+02  0.344587D+00 -0.420401D+01
      6  -0.334796D+01 -0.143329D+01  0.245486D+01 -0.241554D+01 -0.221743D+01
                51            52            53            54            55 
      1   0.173412D+01 -0.646066D+01  0.253776D+01 -0.465172D+00  0.505746D+02
      2  -0.210339D+01  0.104810D+02 -0.159456D+00 -0.192358D+02 -0.280399D+02
      3   0.369269D+00 -0.402030D+01 -0.237831D+01  0.197010D+02 -0.225347D+02
      4  -0.458163D+01 -0.414792D+01 -0.633110D+01  0.768564D+01  0.218708D+02
      5   0.881736D+00  0.172844D+02  0.483887D+01 -0.297815D+02  0.162261D+02
      6   0.654168D+01  0.551625D+01  0.594123D+01 -0.130284D+02  0.354909D+01
                56            57            58            59            60 
      1   0.989750D+01  0.124413D+02  0.116490D+01  0.366459D+01  0.115771D+01
      2  -0.461044D+01 -0.743236D+01  0.135092D+01  0.183521D+00  0.398781D+00
      3  -0.528706D+01 -0.500889D+01 -0.251582D+01 -0.384811D+01 -0.155649D+01
      4   0.135025D+02  0.518553D+01  0.105124D+02  0.553275D+01  0.402368D+01
      5   0.288247D+01  0.119025D+02  0.157220D+01  0.424936D+01  0.156771D+01
      6   0.125625D+01  0.310169D+01  0.146391D+01  0.102558D+01  0.258760D+01
                61            62            63            64            65 
      1   0.190331D+02  0.335736D+01  0.965534D+01  0.117055D+01 -0.963355D+00
      2  -0.121373D+02 -0.168633D+00 -0.906411D+01 -0.548128D+01  0.421312D+00
      3  -0.689577D+01 -0.318873D+01 -0.591230D+00  0.431073D+01  0.542044D+00
      4   0.891312D+01  0.708350D+01  0.707168D+01 -0.212727D-01  0.128125D+01
      5   0.160041D+02  0.532930D+01  0.100951D+02  0.501511D+01  0.816562D+00
      6   0.473851D+01  0.323272D+01  0.191733D+01  0.275451D+00  0.935014D+00
                66            67            68            69            70 
      1  -0.482467D+01 -0.109768D+01 -0.444542D+01 -0.485417D+01 -0.263308D+01
      2  -0.513214D+01  0.853379D+00 -0.923144D+00 -0.585258D+01 -0.286948D+01
      3   0.995680D+01  0.244305D+00  0.536856D+01  0.107068D+02  0.550257D+01
      4  -0.678162D+00 -0.734901D+00  0.159605D+01  0.100310D+01 -0.189144D+01
      5   0.859130D+01  0.148855D+01  0.109713D+01  0.158192D+01  0.641827D+01
      6  -0.262550D+01  0.520177D+00  0.855301D+00  0.380695D+01 -0.941941D+00
                71            72            73            74            75 
      1  -0.174412D+01 -0.241687D+02  0.472339D+00 -0.145822D+01  0.541481D+00
      2  -0.358254D+01 -0.204066D+02  0.277202D+01  0.248315D+01 -0.404725D+00
      3   0.532666D+01  0.445753D+02 -0.324436D+01 -0.102493D+01 -0.136756D+00
      4   0.936278D+00  0.720240D+00  0.458111D+01  0.834736D+01 -0.207202D+01
      5   0.823800D+00  0.798160D+01 -0.249397D+01 -0.350238D+01  0.337936D+01
      6   0.465300D+01 -0.710044D+01 -0.267536D+01 -0.334866D+01  0.223269D+01
                76            77            78            79            80 
      1  -0.241729D+01 -0.218249D+02  0.787861D+01 -0.351171D+00  0.308930D+01
      2   0.436763D+01  0.319058D+02 -0.648930D+01  0.868616D-02 -0.929260D+00
      3  -0.195034D+01 -0.100809D+02 -0.138932D+01  0.342485D+00 -0.216004D+01
      4   0.760116D+01  0.839142D+01 -0.224802D+01 -0.960941D+00 -0.126730D+01
      5  -0.247788D+01 -0.287607D+01  0.197898D+01  0.202337D+01  0.221374D+01
      6  -0.366835D+01 -0.207457D+02  0.117782D+02  0.166485D+01  0.863953D+01
                81            82            83            84            85 
      1  -0.579015D+01  0.152907D+02 -0.116908D+01 -0.863998D+01 -0.172510D+01
      2   0.172696D+01 -0.135285D+02  0.184792D+01  0.103689D+02  0.251797D+01
      3   0.406319D+01 -0.176210D+01 -0.678839D+00 -0.172895D+01 -0.792873D+00
      4   0.184744D+01 -0.411716D+01  0.618133D+01  0.551954D+01  0.650832D+01
      5  -0.860362D+00 -0.182199D+02  0.572558D+01  0.194955D+02  0.623506D+01
      6  -0.547273D+01  0.401984D+01 -0.149879D+01 -0.262470D+01 -0.341395D+01
                86            87            88            89            90 
      1  -0.624466D+00  0.126337D+01 -0.737257D+01  0.479284D+00  0.175967D+01
      2  -0.284268D+00 -0.263895D+01  0.114613D+02 -0.243674D+01 -0.170651D+02
      3   0.908733D+00  0.137558D+01 -0.408877D+01  0.195745D+01  0.153054D+02
      4  -0.515970D+01 -0.593453D+01  0.445280D+01 -0.476244D+01 -0.749301D+01
      5  -0.683464D+01 -0.750886D+01  0.200018D+02 -0.656649D+01 -0.296180D+02
      6   0.391578D+01  0.799295D+01 -0.432230D+01  0.555862D+01  0.701930D+01
                91            92            93            94            95 
      1  -0.180143D+02  0.974830D+01 -0.176031D+02  0.165218D+02 -0.103377D+02
      2   0.119129D+02 -0.128800D+02  0.108473D+02 -0.184426D+02 -0.949394D+00
      3   0.610144D+01  0.313171D+01  0.675574D+01  0.192084D+01  0.112871D+02
      4   0.875989D+01 -0.104599D+02  0.171544D+02 -0.132870D+02 -0.162010D+02
      5  -0.970147D+01  0.209553D+02  0.270385D+01  0.265976D+02  0.786003D+01
      6   0.519789D+01  0.731136D+01  0.778179D+01  0.776283D+01  0.599357D+01
                96            97            98            99           100 
      1   0.253875D+02 -0.141303D+02  0.237247D+02  0.115386D+02 -0.638221D+01
      2  -0.800762D+01  0.124011D+02 -0.608137D+01 -0.476999D+01  0.194105D+01
      3  -0.173799D+02  0.172923D+01 -0.176434D+02 -0.676860D+01  0.444116D+01
      4   0.119034D+02  0.218935D+02  0.144969D+02 -0.292123D+01 -0.379125D+01
      5  -0.221899D+01  0.540054D+00 -0.361576D+01 -0.703285D+01  0.265724D+00
      6  -0.466908D+01  0.716241D+01 -0.518537D+01 -0.491691D+01  0.268127D+01
               101           102           103           104           105 
      1   0.359550D+01  0.103989D+02  0.277492D+01 -0.671086D+01 -0.986151D+01
      2  -0.222856D+01 -0.247891D+01 -0.587426D+00  0.597255D+01  0.402363D+01
      3  -0.136694D+01 -0.792002D+01 -0.218749D+01  0.738317D+00  0.583788D+01
      4  -0.344901D+00 -0.147754D+01  0.359917D+01  0.648088D+01  0.266013D+01
      5  -0.315831D+01 -0.331874D+01 -0.202440D+01  0.339485D+01  0.559346D+01
      6  -0.454549D+01 -0.582230D+01 -0.229423D+01  0.705105D+01  0.977051D+01
               106           107           108           109           110 
      1   0.108270D+02 -0.989518D+01 -0.180662D+02  0.523034D+02 -0.125445D+02
      2  -0.433438D+01  0.382740D+01 -0.105006D+01 -0.317891D+02  0.925908D+01
      3  -0.649261D+01  0.606778D+01  0.191163D+02 -0.205143D+02  0.328546D+01
      4   0.764755D+00  0.414013D+01  0.438137D+01 -0.701891D+01  0.115619D+02
      5   0.237273D+01  0.627948D+01  0.155524D+02  0.218570D+02 -0.690939D+01
      6  -0.274927D+01  0.102525D+02  0.157769D+02 -0.106663D+01  0.182679D+01
               111           112           113           114           115 
      1   0.150172D+02 -0.234342D+02  0.108401D+02 -0.805268D+01  0.157247D+02
      2  -0.120826D+02  0.153624D+02 -0.573936D+01  0.613961D+01 -0.128598D+02
      3  -0.293466D+01  0.807180D+01 -0.510070D+01  0.191307D+01 -0.286494D+01
      4  -0.364873D+01  0.117965D+02 -0.103565D+02  0.326199D+01 -0.372130D+01
      5   0.146380D+02 -0.120359D+02  0.528995D+01 -0.817983D+01  0.163570D+02
      6  -0.610906D+00  0.213348D+01 -0.375112D+01  0.253401D+01 -0.900579D+00
               116           117           118           119           120 
      1  -0.539537D+01  0.808211D+01  0.185155D+02  0.962261D+01 -0.284152D+01
      2   0.419533D+01 -0.919602D+01 -0.504305D+01  0.168779D+01 -0.379902D+00
      3   0.120004D+01  0.111392D+01 -0.134725D+02 -0.113104D+02  0.322142D+01
      4   0.239968D+01 -0.229460D+01  0.176767D+02  0.193537D+02 -0.697332D+01
      5  -0.442111D+01  0.132909D+02 -0.380817D+01 -0.593598D+01  0.611611D+01
      6   0.322699D+01  0.364349D+00 -0.244492D+01 -0.154402D+01  0.167553D+01
               121           122           123           124           125 
      1   0.111999D+02  0.557268D+01 -0.379406D+01 -0.800705D+01 -0.461572D+01
      2   0.324364D+01  0.151185D+02 -0.314728D+01  0.131370D+01 -0.361895D+01
      3  -0.144435D+02 -0.206912D+02  0.694134D+01  0.669335D+01  0.823467D+01
      4   0.249126D+02  0.355219D+02 -0.961098D+01 -0.122144D+02 -0.148596D+02
      5  -0.627677D+01 -0.827974D+01  0.870257D+01  0.740718D+01  0.929605D+01
      6  -0.243965D+01 -0.436028D+01  0.688971D+01  0.301631D+01  0.707249D+01
               126           127           128           129           130 
      1   0.859435D+00 -0.196404D+01  0.965941D+01 -0.252448D+00  0.122011D+02
      2   0.123997D+01  0.559181D+01 -0.151191D+02  0.334629D+01 -0.175761D+02
      3  -0.209941D+01 -0.362777D+01  0.545966D+01 -0.309384D+01  0.537500D+01
      4   0.933823D+01  0.353552D+01  0.183814D+00  0.550879D+01  0.153057D+01
      5  -0.972495D+01  0.221179D+01  0.140813D+01 -0.448858D+00 -0.661681D+00
      6  -0.591422D+01  0.658212D+01  0.389131D+01 -0.223191D-01  0.484003D+01
               131           132           133           134           135 
      1   0.161516D+02 -0.519680D+01 -0.697766D-01 -0.457688D+01  0.158848D+02
      2  -0.310215D+02  0.122786D+02  0.341910D+01  0.181256D+02 -0.104175D+02
      3   0.148700D+02 -0.708180D+01 -0.334932D+01 -0.135487D+02 -0.546728D+01
      4  -0.180970D+02  0.608494D+01  0.535226D+01  0.703985D+01 -0.283179D+01
      5   0.435414D+01 -0.763480D+00  0.646588D+00 -0.311356D+01 -0.654882D+01
      6   0.147970D+02 -0.784479D+01 -0.103870D+01 -0.142740D+02 -0.277942D+02
               136           137           138           139           140 
      1   0.232091D+01  0.528127D-01  0.126791D+01 -0.366281D+01 -0.852469D+01
      2  -0.128108D+02  0.120790D+02 -0.304228D+01  0.151309D+02 -0.125661D+01
      3   0.104899D+02 -0.121318D+02  0.177437D+01 -0.114680D+02  0.978130D+01
      4   0.124852D+02 -0.222519D+02 -0.979304D+00 -0.203672D+02  0.149931D+02
      5   0.155248D+01  0.296621D+01  0.208790D+01  0.362060D+01 -0.585614D+00
      6  -0.334926D+01 -0.270478D+01 -0.188544D+01 -0.301930D+01 -0.394846D+01
               141           142           143           144           145 
      1   0.563445D+01  0.162697D+01  0.437814D+01  0.805626D+01 -0.110774D+01
      2  -0.143550D+01 -0.284222D+00 -0.604182D+01  0.119265D+02  0.732884D+01
      3  -0.419894D+01 -0.134275D+01  0.166367D+01 -0.199828D+02 -0.622110D+01
      4  -0.123758D+01 -0.719568D+00  0.341714D+01  0.143057D+00  0.877768D+01
      5  -0.322972D+01  0.244419D+01 -0.130401D+01 -0.965589D+01 -0.170323D+01
      6   0.553545D+01  0.201107D+00  0.401111D+01  0.174029D+02 -0.425143D+01
               146           147           148           149           150 
      1  -0.352044D+01  0.944828D-01 -0.520207D+01 -0.338877D+02  0.620418D+01
      2   0.109650D+02 -0.152980D+01  0.129816D+02  0.637028D+02 -0.113110D+02
      3  -0.744455D+01  0.143531D+01 -0.777952D+01 -0.298150D+02  0.510686D+01
      4   0.147666D+02 -0.374114D+01  0.127811D+02  0.245559D+02 -0.436724D+01
      5  -0.194536D+01  0.271993D+01 -0.159577D+01 -0.310095D+01  0.267107D+01
      6  -0.281453D+01  0.203769D+01 -0.302512D+01 -0.147265D+02  0.106143D+02
               151           152           153           154           155 
      1   0.108855D+01  0.108346D+02 -0.789346D+01  0.269689D-02 -0.863939D-01
      2  -0.328789D+01 -0.182482D+02  0.893878D+01 -0.219780D+01  0.888148D+00
      3   0.219934D+01  0.741356D+01 -0.104532D+01  0.219510D+01 -0.801754D+00
      4  -0.543083D+01 -0.757793D+01  0.457150D+01 -0.512755D+00  0.336222D+01
      5   0.264103D+01  0.390344D+01 -0.174630D+01  0.107676D+01  0.163628D+01
      6   0.343294D+01  0.149229D+02 -0.606543D+01  0.409875D+01 -0.876303D+00
               156           157           158           159           160 
      1   0.157379D+01 -0.146230D+01 -0.784996D+01 -0.567334D+01  0.134832D+01
      2  -0.153648D+01  0.226981D+01  0.938131D+01  0.427742D+01 -0.113979D+01
      3  -0.373169D-01 -0.807510D+00 -0.153135D+01  0.139592D+01 -0.208524D+00
      4   0.402788D+01  0.219949D+01  0.306092D+01  0.106132D+01  0.523401D+01
      5   0.607570D+01  0.875466D+00  0.116788D+01  0.113683D+01  0.444596D+01
      6  -0.741879D+00  0.908522D-01  0.712546D+01  0.103513D+02  0.201043D+01
               161           162           163           164           165 
      1  -0.992451D+01 -0.201936D+02 -0.159705D+01 -0.572272D+00  0.182342D+01
      2   0.668965D+01  0.854347D+00 -0.705061D+00 -0.112188D+01  0.554265D-01
      3   0.323486D+01  0.193392D+02  0.230211D+01  0.169415D+01 -0.187885D+01
      4   0.219502D+01  0.354203D+01 -0.486559D+00  0.398349D+01 -0.137382D+01
      5   0.332102D+01  0.890186D+01  0.103627D+01 -0.106770D+00  0.512792D+01
      6   0.174486D+02  0.353086D+02 -0.140965D+01  0.274930D+00  0.217671D+01
               166           167           168           169           170 
      1   0.110189D+01 -0.605023D+00 -0.243458D+00  0.182314D+01  0.356049D+01
      2  -0.288829D+01 -0.111607D+01 -0.388720D+01 -0.264946D+01 -0.354964D+01
      3   0.178641D+01  0.172110D+01  0.413065D+01  0.826329D+00 -0.108506D-01
      4   0.320805D+01 -0.120989D+01  0.142862D+01 -0.266662D+01  0.242335D+01
      5   0.277319D+00  0.126522D+01  0.285957D+01  0.532615D+01 -0.670881D+00
      6   0.331147D+00 -0.112330D+01  0.272635D+01 -0.178606D+01  0.525273D+01
               171           172           173           174           175 
      1  -0.154444D+02  0.112922D+02 -0.216900D+01 -0.287732D+00  0.101225D+00
      2  -0.158968D+02  0.508552D+01 -0.114371D+02  0.586932D+00 -0.124037D+02
      3   0.313412D+02 -0.163777D+02  0.136061D+02 -0.299200D+00  0.123024D+02
      4  -0.255444D+01 -0.283317D+02  0.263393D+02 -0.124361D+01  0.249837D+02
      5   0.123991D+02  0.252405D+01 -0.232924D+01  0.438425D+01 -0.210293D+01
      6  -0.192919D+02 -0.785703D+00  0.197432D+01 -0.322741D+01  0.219751D+01
               176           177           178           179           180 
      1  -0.701833D+01  0.350930D+00 -0.151115D+01 -0.384386D+00 -0.183104D+01
      2   0.267164D+02 -0.252795D+00  0.873804D-01  0.201608D+01  0.124703D+01
      3  -0.196981D+02 -0.981349D-01  0.142377D+01 -0.163170D+01  0.584001D+00
      4  -0.295068D+02  0.119163D+01  0.212345D+01 -0.195679D+01 -0.528900D+01
      5   0.128053D+01 -0.265985D+01  0.386769D+01 -0.381706D+01  0.644188D+00
      6  -0.203161D+01  0.483297D+01 -0.451268D+01  0.588891D+01 -0.999757D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.871397D+02      0.129128D+02      0.143674D+02
   aniso      0.159048D+02      0.235685D+01      0.262235D+01
   xx         0.928445D+02      0.137581D+02      0.153080D+02
   yx         0.281721D+00      0.417467D-01      0.464495D-01
   yy         0.917387D+02      0.135943D+02      0.151257D+02
   zx        -0.194765D+01     -0.288611D+00     -0.321124D+00
   zy         0.717209D+00      0.106279D+00      0.118252D+00
   zz         0.768357D+02      0.113859D+02      0.126685D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.871397D+02      0.129128D+02      0.143674D+02
   aniso      0.159048D+02      0.235685D+01      0.262235D+01
   xx         0.877074D+02      0.129969D+02      0.144610D+02
   yx         0.722895D+01      0.107122D+01      0.119189D+01
   yy         0.827446D+02      0.122615D+02      0.136427D+02
   zx        -0.265682D+01     -0.393701D+00     -0.438051D+00
   zy         0.280378D+01      0.415477D+00      0.462280D+00
   zz         0.909670D+02      0.134799D+02      0.149984D+02

 ----------------------------------------------------------------------
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 EVERY WORD THAT YOU WRITE IS A BLOW THAT SMITES THE DEVIL.
     -- ST. BERNARD OF CLAIRVAUX
 Job cpu time:       0 days  5 hours 44 minutes 56.8 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 36.0 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 20:16:24 2021.
